SCHEMBL2094518

SCHEMBL2094518

COc1c(O)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
TSHR P16473 2/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
TPMT P51580 1/20 0.44
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL254822 0.83 KDM4E (0.46) TSHRALDH1A1KDM4EHSD17B10MAPK1
2-Methoxyresorcinol SCHEMBL69297 0.83 CA2 (0.61) CA1CA2TSHRALDH1A1KDM4E
2-Methoxyresorcinol SCHEMBL10818280 0.80 CA2 (0.59) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL16733990 0.79 KDM4E (0.45) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL17744214 0.79 ALDH1A1 (0.50) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL3329675 0.78 L3MBTL1 (0.49) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL29048096 0.78 KDM4E (0.43) TSHRALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL21815270 0.76 CA1 (0.55) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL3236165 0.74 RAB9A (0.50) ALDH1A1KDM4EHSD17B10MAPK1HPGD
SCHEMBL197298 0.74 SMN1; SMN2 (0.50) CA1CA2ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113735847-B Synthetic preparation method of berberine hydrochloride 四川大学 2022-06-07 CN disclosed
CN-113735847-A Synthetic preparation method of berberine hydrochloride 四川大学 2021-12-03 CN disclosed
CN-107739075-B Electrocatalytic reduction dechlorination method for wastewater containing chlorinated organic pollutants 广西大学 2021-04-20 CN disclosed
CN-110461828-A IP6K inhibitor TAKEDA PHARMACEUTICALS CO 2019-11-15 CN disclosed
CN-110072857-A 1, 3-disubstituted cyclobutanone or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2019-07-30 CN disclosed
CN-109680296-A A method of the O-methoxy phenolic group group decomposited with lignin prepares eugenol with additional allyl reaction 河北工业大学 2019-04-26 CN disclosed
CN-109651208-A N- arylsulfonamides compound, medical composition and its use 中国科学院上海药物研究所 2019-04-19 CN disclosed
CN-109641864-A ANTI-INFECTIVE AGENTS 邓迪大学 2019-04-16 CN disclosed
CN-108821930-A A kind of ehter bond cleavage method of phenyl alkyl ether 荆楚理工学院 2018-11-16 CN disclosed
CN-104968647-B Acid amides as sodium channel modulators 沃泰克斯药物股份有限公司 2018-01-26 CN disclosed
EP-0118377-A2 Process for the production of metachlorinated phenols RHONE-POULENC CHIMIE (FR) 1984-09-12 EP disclosed
EP-0055196-B1 PROCESS FOR THE SYNTHESIS OF METACHLOROPHENOLS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-04-18 EP disclosed
EP-0055198-B1 PROCESS FOR THE SYNTHESIS OF METACHLOROPHENOLS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-04-04 EP disclosed
EP-0055197-B1 PROCESS FOR THE SYNTHESIS OF METACHLOROPHENOLS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-04-04 EP disclosed
US-4410737-A Preparation of meta-chlorophenols by selective hydrodechlorination of polychlorophenols RHONE-POULENC INDUSTRIES (FR) 1983-10-18 US disclosed
US-4410738-A Preparation of meta-chlorophenols by selective hydrodechlorination of polychlorophenols RHONE-POULENC INDUSTRIES (FR) 1983-10-18 US disclosed
US-4410739-A LEWIS ACID, NOBLE METAL CATALYST RHONE-POULENC INDUSTRIES (FR) 1983-10-18 US disclosed
EP-0055196-A1 Process for the synthesis of metachlorophenols RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-06-30 EP disclosed
EP-0055197-A1 Process for the synthesis of metachlorophenols RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-06-30 EP disclosed
EP-0055198-A1 Process for the synthesis of metachlorophenols RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-06-30 EP disclosed