SCHEMBL6622985

SCHEMBL6622985

CC(=O)Cc1c(O)ccc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.72
ALDH1A1 P00352 7/20 0.72
GAA P10253 6/20 0.72
HSD17B10 Q99714 3/20 0.72
GLA P06280 1/20 0.72
HPGD P15428 1/20 0.72
CYP1A2 P05177 3/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
MAPT P10636 6/20 0.58
TAAR1 Q96RJ0 1/20 0.58
TDP1 Q9NUW8 2/20 0.57
KMT2A Q03164 6/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 1/20 0.50
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.47
HIF1A Q16665 2/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL4889683 0.84 KDM4E (1.00) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL23499977 0.82 KDM4E (0.72) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL23276640 0.82 KDM4E (0.72) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL6179565 0.82 ALDH1A1 (0.49) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL21438254 0.81 KDM4E (0.66) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL5236476 0.81 ALDH1A1 (0.47) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL8370420 0.81 KDM4E (0.47) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL28195038 0.79 HTR2A (0.50) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL8372337 0.79 HSD17B10 (0.46) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL8369219 0.79 POLB (0.47) KDM4EALDH1A1GAAHSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107523603-B Method for preparing cefaclor by enzyme method 长沙凯晓生物科技有限公司 2020-12-29 CN disclosed
EP-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 EP disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 WO disclosed