SCHEMBL129664

SCHEMBL129664

O=C(O)c1cc(I)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
PTGS2 P35354 2/20 0.61
CA12 O43570 1/20 0.61
ALOX5 P09917 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 3/20 0.57
MEN1 O00255 2/20 0.57
KDR P35968 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP2C9 P11712 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
TNF P01375 1/20 0.57
CYP3A4 P08684 1/20 0.57
HSPD1 P10809 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29662013 1.00 CA1 (0.61) CA1CA2PTGS2CA12ALOX5
SCHEMBL9488619 0.96 CA1 (0.57) CA1CA2PTGS2CA12ALOX5
Methacrylic Acid SCHEMBL28616220 0.87 CSNK2A1 (0.50) CA1CA2PTGS2CA12ALOX5
SCHEMBL980376 0.82 ALDH1A1 (0.61) CA1CA2PTGS2CA12ALOX5
SCHEMBL21383209 0.82 EGFR (0.46) CA1CA2PTGS2CA12ALOX5
SCHEMBL522679 0.81 PTPN1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL23242473 0.80 AR (0.47) CA1CA2PTGS2CA12ALOX5
SCHEMBL4037170 0.80 AR (0.47) CA1CA2PTGS2CA12ALOX5
SCHEMBL11449959 0.80 AR (0.47) CA1CA2PTGS2CA12ALOX5
SCHEMBL30832900 0.80 AR (0.47) CA1CA2PTGS2CA12ALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 767 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118619869-B Halogen-containing lithium ion eutectic crystal and preparation method and application thereof 佛山大学 2024-11-22 CN claimed
CN-118619869-A Halogen-containing lithium ion eutectic crystal and preparation method and application thereof 佛山大学 2024-09-10 CN claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-114113370-B Analysis method of aromatic halogenated disinfection byproducts in water 东南大学 2024-03-26 CN claimed
CN-114605277-B Synthesis method of mesalazine 宁波怡和医药科技有限公司 2022-10-11 CN claimed
US-11453600-B2 Method of making hydrocarbon soluble metal compositions INDIAN OIL CORPORATION LIMITED (IN) 2022-09-27 US claimed
EP-3581635-B1 HYDROCARBON SOLUBLE METAL COMPOSITIONS AND METHOD OF MAKING THEM INDIAN OIL CORP LTD (IN) 2022-08-03 EP claimed
CN-114605277-A Synthesis method of mesalazine 宁波怡和医药科技有限公司 2022-06-10 CN claimed
CN-114113370-A Analysis method of aromatic halogenated disinfection byproducts in water 东南大学 2022-03-01 CN claimed
CN-112276412-A Laser welding solder paste and preparation method thereof 苏州恩斯泰金属科技有限公司 2021-01-29 CN claimed
EP-0070198-B1 RADIATION-SENSITIVE COMPOSITION AND PATTERN-FORMATION METHOD USING THE SAME Hitachi, Ltd. (JP) 1985-06-19 EP claimed
EP-0031561-B1 A RECTALLY ADMINISTERED SUPPOSITORY COMPRISING A DRUG AND AN ADJUVANT MERCK & CO. INC. (US) 1985-04-10 EP claimed
US-4470980-A Method of increasing oral absorption of β-lactam antibiotics INTERX RESEARCH CORP. (US) 1984-09-11 US claimed
US-4464363-A HYDROXY ARYL- OR HYDROXY ARALKYL ACIDS OR SALTS MERCK & CO., INC. (US) 1984-08-07 US claimed
US-4406896-A ANTIBIOTICS, ACIDS, HYDROXY MERCK & CO., INC. (US) 1983-09-27 US claimed
EP-0070198-A1 Radiation-sensitive composition and pattern-formation method using the same Hitachi, Ltd. (JP) 1983-01-19 EP claimed
EP-0036534-A1 An orally administrable drug form comprising a beta-lactam antibiotic and an adjuvant INTERx RESEARCH CORPORATION (US) 1981-09-30 EP claimed
EP-0036145-A1 An orally administered drug form comprising a polar bioactive agent and an adjuvant INTERx RESEARCH CORPORATION (US) 1981-09-23 EP claimed
EP-0035770-A2 An orally administered drug form comprising a glycosidic antibiotic and an adjuvant INTERx RESEARCH CORPORATION (US) 1981-09-16 EP claimed
EP-0031561-A2 A rectally administered suppository comprising a drug and an adjuvant MERCK & CO. INC. (US) 1981-07-08 EP claimed