SCHEMBL8375529

SCHEMBL8375529

COC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)c(S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.48
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 1/20 0.47
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 2/20 0.44
STS P08842 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ESRRA P11474 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ACR P10323 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
SCHEMBL8379224 0.86 ALDH1A1 (0.54) VCAM1HPGDMAPTALDH1A1NPSR1
SCHEMBL8379051 0.84 VCAM1 (0.43) VCAM1HPGDMAPTRAB9AALDH1A1
SCHEMBL8379048 0.84 VCAM1 (0.43) VCAM1HPGDMAPTRAB9AALDH1A1
SCHEMBL8072805 0.82 SMN1; SMN2 (0.51) HPGDMAPTALDH1A1KMT2AKDM4E
SCHEMBL8186035 0.81 KMT2A (0.47) VCAM1HPGDMAPTALDH1A1NPSR1
SCHEMBL8729586 0.81 SMN1; SMN2 (0.57) VCAM1HPGDMAPTALDH1A1NPSR1
SCHEMBL8816962 0.81 MAOB (0.49) HPGDMAPTRAB9AALDH1A1KMT2A
SCHEMBL8068481 0.81 THRA (0.43) VCAM1HPGDRAB9AALDH1A1NPSR1
SCHEMBL8379266 0.80 HPGD (0.41) HPGDMAPTRAB9AALDH1A1KMT2A
SCHEMBL8379275 0.80 SLC9A1 (0.55)

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
JP-6345643-A None JP disclosed
US-5880156-A ANTIARRHYTHMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 US disclosed
JP-H06345643-A SUBSTITUTED BENZOYLGUANIDINE, ITS PRODUCTION, ITS USE AS MEDICINE OR DIAGNOSTIC MEDICINE AND MEDICINE CONTAINING THE SAME HOECHST AG 1994-12-20 JP disclosed