SCHEMBL6472175

SCHEMBL6472175

C=C(C(=O)O)c1ccccc1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTPN2 P17706 2/20 0.43
PTPN1 P18031 2/20 0.43
PTPRF P10586 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HMGB1 P09429 1/20 0.37
HPGD P15428 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA9 Q16790 1/20 0.37
NAPRT Q6XQN6 1/20 0.37

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
SCHEMBL11123891 0.84 ALDH1A1 (0.52) ALDH1A1ALOX15KDM4ECA12CA1
SCHEMBL29127642 0.81 TDP1 (0.44) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL29875702 0.77 MEN1 (0.53) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL40612 0.77 ALDH1A1 (0.65) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL13745451 0.77 MEN1 (0.47) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL30516691 0.77 ALDH1A1 (0.65) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL29362868 0.76 KMT2A (0.44) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL28002316 0.76 KMT2A (0.44) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL928902 0.76 KDM4E (0.60) MEN1KMT2ATDP1ALDH1A1ALOX15
SCHEMBL3328547 0.76 ALDH1A1 (0.44) PTPN1ALDH1A1ALOX15KDM4ECA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112961115-A Method and compound for preparing (E) -alpha-aryl-alpha, beta-unsaturated oxazoline or carboxylic acid 浙江师范大学 2021-06-15 CN disclosed
US-9221783-B2 Phenylalkyl sulfamate compound and muscle relaxant composition comprising the same BIO-PHARM SOLUTIONS CO., LTD. (KR) 2015-12-29 US disclosed
WO-2005109041-A1 COMPOSITIONS FOR USE IN THE MANUFACTURE OF LENSES MEDICAL POLYMERS LIMITED (GB) 2005-11-17 WO disclosed
US-6426445-B1 HIGH CAPILLARY SUCTION STORAGE ABSORBENT MEMBER FOR BODY LIQUIDS SUCH AS URINE THE PROCTER & GAMBLE COMPANY 2002-07-30 US disclosed