SCHEMBL9201865

SCHEMBL9201865

CCOC(=O)n1ccc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HSP90AA1 P07900 1/20 0.53
ALDH1A1 P00352 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOB P27338 1/20 0.48
ALOX5 P09917 1/20 0.48
ROCK1 Q13464 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47

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
SCHEMBL7166968 0.93 SRD5A2 (0.54) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL3676129 0.89 SRD5A2 (0.51) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL5483649 0.86 SRD5A2 (0.57) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL1179548 0.86 SRD5A2 (0.53) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL30453001 0.84 SRD5A2 (0.56) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL7171723 0.84 TUBB1 (0.50) SRD5A2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2492694 0.84 HDAC1 (0.47) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL2492696 0.84 HDAC1 (0.47) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL8362532 0.84 SRD5A2 (0.55) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL5108340 0.83 SRD5A2 (0.55) SRD5A2MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544821-B1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER (US) 1995-01-11 EP disclosed
US-5290788-A Indole derivatives as antiallergy and antiinflammatory agents PFIZER INC. (US) 1994-03-01 US disclosed