SCHEMBL7311543

SCHEMBL7311543

COc1[nH]c2ccccc2c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
TDP1 Q9NUW8 1/20 0.57
NR4A2 P43354 2/20 0.53
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
ALOX5 P09917 1/20 0.47
MAPT P10636 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
SCHEMBL7459854 0.85 KDM4E (0.58) KDM4ETDP1NR4A2ALOX5MAPT
SCHEMBL9317997 0.85 NR4A2 (0.69) KDM4ENR4A2TUBB4ATUBBTUBA3C
SCHEMBL3126546 0.82 NR4A2 (0.51) KDM4ETDP1NR4A2TUBB4ATUBB
SCHEMBL3263777 0.79 KDM4E (0.51) KDM4ETDP1NR4A2ALOX5MAPT
SCHEMBL8661193 0.78 TUBB4A (0.64) KDM4ETDP1TUBB4ATUBBTUBA3C
SCHEMBL4625769 0.78 KDM4E (0.51) KDM4ETDP1NR4A2MAPTALDH1A1
SCHEMBL6583063 0.78 TUBB4A (0.51) KDM4ETDP1TUBB4ATUBBTUBA3C
SCHEMBL3275504 0.77 MEN1 (0.65) KDM4ETDP1NR4A2TUBB4ATUBB
SCHEMBL570154 0.77 NR4A2 (0.67) KDM4ETDP1NR4A2MAPTALDH1A1
SCHEMBL3264074 0.76 KMT2A (0.53) KDM4ETDP1NR4A2ALOX5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4845092-A OF VISCERAL PAIN IN MAMMALS, HUMANS BEECHAM GROUP PLC (GB) 1989-07-04 US claimed
US-4789673-A ANTISEROTONINE AGENTS NOVARTIS AG (CH) 1988-12-06 US claimed
EP-0279512-A2 Use of certain 5-HT3 receptor antagonists in the treatment of visceral pain BEECHAM GROUP PLC (GB) 1988-08-24 EP claimed
US-4845092-A OF VISCERAL PAIN IN MAMMALS, HUMANS BEECHAM GROUP PLC (GB) 1989-07-04 US disclosed
US-4789673-A ANTISEROTONINE AGENTS NOVARTIS AG (CH) 1988-12-06 US disclosed
EP-0279512-A2 Use of certain 5-HT3 receptor antagonists in the treatment of visceral pain BEECHAM GROUP PLC (GB) 1988-08-24 EP disclosed