SCHEMBL3431999

SCHEMBL3431999

O=C(CC1CCCN1C(=O)O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.46
FKBP1A P62942 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SPHK2 Q9NRA0 1/20 0.46
GLA P06280 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45

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
SCHEMBL9037028 0.91 PREP (0.54) PREPL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL18281710 0.87 PREP (0.45) PREPFKBP1AALDH1A1MAPK1L3MBTL1
SCHEMBL9037209 0.84 KLK7 (0.51) PREPFKBP1A
SCHEMBL19349915 0.82 PREP (0.55) PREPFKBP1AALDH1A1L3MBTL1
SCHEMBL14535955 0.82 PREP (0.55) PREPFKBP1AALDH1A1L3MBTL1
SCHEMBL1122258 0.81 PREP (0.55) PREPL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL1122261 0.81 PREP (0.55) PREPL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL1777431 0.81 USP2 (0.61) PREPL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL1777437 0.81 USP2 (0.61) PREPL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6360197 0.81 ABHD6 (0.56) PREPSPHK2

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-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed