SCHEMBL8632780

SCHEMBL8632780

COc1ccccc1OC(C(=O)O)C1CCN(c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.45
HRH3 Q9Y5N1 2/20 0.44
F2 P00734 1/20 0.44
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
LSS P48449 1/20 0.40
ALDH1A1 P00352 2/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
HIF1A Q16665 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL8631482 0.84 KAT2B (0.43) F10HRH3TSHRLSSALDH1A1
SCHEMBL8633125 0.79 F10 (0.52) F10HRH3F2KMT2ATSHR
SCHEMBL8683270 0.75 F10 (0.44) F10HRH3F2TSHRLSS
SCHEMBL8790550 0.74 HRH3 (0.46) HRH3TSHRKDM4EALDH1A1HIF1A
Hydrochloric Acid SCHEMBL8631954 0.73 CYP2C9 (0.42) F10HRH3F2TSHRLSS
Hydrochloric Acid SCHEMBL8633757 0.73 CYP2C9 (0.42) F10HRH3F2TSHRLSS
SCHEMBL8633134 0.72 F10 (0.44) F10HRH3F2KMT2ATSHR
SCHEMBL8695326 0.72 F10 (0.41) F10HRH3F2TSHRLSS
SCHEMBL4435638 0.71 ITGB3 (0.46) HRH3TSHRLSSDPP4DPP8
SCHEMBL8632221 0.71 TSHR (0.40) F10F2KMT2ATSHRKDM4E

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
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed