SCHEMBL2441665

SCHEMBL2441665

CCOC(=O)C=C1CCn2c1cc1cc(OCc3ccccc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HSP90AA1 P07900 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR1 P21453 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MAOA P21397 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2441664 1.00 SRD5A2 (0.47) SRD5A2MEN1KMT2AHSP90AA1NPC1
SCHEMBL2018949 0.94 SRD5A2 (0.46) SRD5A2MEN1KMT2AHSP90AA1NPC1
SCHEMBL2018948 0.94 SRD5A2 (0.46) SRD5A2MEN1KMT2AHSP90AA1NPC1
SCHEMBL2016768 0.88 SRD5A2 (0.50) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL16918467 0.88 SRD5A2 (0.50) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL2016771 0.88 SRD5A2 (0.50) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL2021474 0.88 SRD5A2 (0.49) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL2447542 0.88 SRD5A2 (0.49) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL2447541 0.88 SRD5A2 (0.49) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL14327889 0.82 MEN1 (0.51) 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-2542554-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF Arena Pharmaceuticals, Inc. (US) 2013-01-09 EP disclosed
WO-2011109471-A1 PROCESSES FOR THE PREPARATION OF S1P1 RECEPTOR MODULATORS AND CRYSTALLINE FORMS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2011-09-09 WO disclosed