SCHEMBL7500592

SCHEMBL7500592

COc1ccc(-c2cc(OC)ccc2C(=O)Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.59
TP53 P04637 1/20 0.59
SMN1; SMN2 Q16637 6/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 5/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
PTPN1 P18031 1/20 0.51
BACE1 P56817 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 2/20 0.48
HSP90AA1 P07900 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL28589540 0.81 USP2 (0.73) USP2TP53SMN1; SMN2RAB9ANPC1
SCHEMBL29586539 0.81 NPC1 (0.74) USP2TP53SMN1; SMN2RAB9ANPC1
SCHEMBL3811897 0.81 NPC1 (0.74) USP2TP53SMN1; SMN2RAB9ANPC1
SCHEMBL4838604 0.81 USP2 (0.73) USP2TP53SMN1; SMN2RAB9ANPC1
SCHEMBL7591657 0.79 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1HPGDBACE1MAPT
SCHEMBL29586454 0.78 NPC1 (0.68) USP2TP53SMN1; SMN2RAB9ANPC1
SCHEMBL150915 0.78 NPC1 (0.68) USP2TP53SMN1; SMN2RAB9ANPC1
SCHEMBL17637149 0.78 HSD11B1 (0.63) USP2TP53SMN1; SMN2RAB9ANPC1
SCHEMBL10694377 0.78 SRD5A2 (0.68) USP2TP53SMN1; SMN2RAB9ANPC1
SCHEMBL6701301 0.77 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HPGDPTPN1BACE1

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
EP-0984954-A4 ANTI-MITOTIC AGENTS WHICH INHIBIT TUBULIN POLYMERIZATION UNIV BAYLOR (US) 2002-01-16 EP disclosed
EP-0984954-A1 ANTI-MITOTIC AGENTS WHICH INHIBIT TUBULIN POLYMERIZATION BAYLOR UNIVERSITY (US) 2000-03-15 EP disclosed
WO-1998039323-A1 ANTI-MITOTIC AGENTS WHICH INHIBIT TUBULIN POLYMERIZATION BAYLOR UNIVERSITY (US) 1998-09-11 WO disclosed