SCHEMBL8555912

SCHEMBL8555912

C=CCOc1cccc2[nH]c(C(=O)OCC)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.47
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 5/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 3/20 0.47
LMNA P02545 3/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HCRTR1 O43613 1/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL15099347 0.83 KDM4E (0.49) SRD5A2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL699482 0.82 FLT3 (0.60) KDM4EALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL914490 0.82 KDM4E (0.54) SRD5A2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL700753 0.81 SRD5A2 (0.73) SRD5A2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL22620709 0.80 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL913908 0.78 SRD5A2 (0.45) SRD5A2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL915344 0.78 SRD5A2 (0.45) SRD5A2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL7005455 0.78 SRD5A2 (0.59) SRD5A2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL9588071 0.78 ALDH1A1 (0.45) SRD5A2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL913978 0.78 KDM4E (0.55) SRD5A2KDM4EALDH1A1SMN1; SMN2MAPT

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-0653426-B1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA CO (JP) 1998-07-22 EP disclosed
US-5510366-A INOTROPIC, ANTIARRHYMTHMIA AGENTS, VASODILATORS KOWA CO., LTD. (JP) 1996-04-23 US disclosed
EP-0653426-A1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA COMPANY, LTD. (JP) 1995-05-17 EP disclosed