SCHEMBL6570683

SCHEMBL6570683

CCCCc1[c]ccc(-c2ccc(OC)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MGLL Q99685 5/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
MAOB P27338 2/20 0.39
ABL1 P00519 1/20 0.39
ABCB1 P08183 1/20 0.39
BCR P11274 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
ZAP70 P43403 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 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
SCHEMBL8913087 0.84 ABL1 (0.43) CASP3SENP8SENP7SENP6MAOB
SCHEMBL9053089 0.82 HRH2 (0.37) HRH2HRH3MAPK1SMN1; SMN2
SCHEMBL1370037 0.81 HSD11B1 (0.37) MGLLNPC1RAB9ASMN1; SMN2
SCHEMBL1940072 0.79 PTGS2 (0.37) TP53
SCHEMBL462206 0.78 PTGS2 (0.42) CASP3SENP8SENP7SENP6
SCHEMBL13579997 0.73 MAOB (0.63) HRH2HRH3CASP3SENP8SENP7
SCHEMBL10700341 0.72 DYRK1A (0.42) CASP3SENP8SENP7SENP6MAOB
SCHEMBL3153171 0.72 CASP3 (0.51) HRH2HRH3CASP3SENP8SENP7
SCHEMBL28824959 0.72 ABL1 (0.52) CASP3SENP8SENP7SENP6ABL1
SCHEMBL14941370 0.72 NPC1 (0.35) NPC1MAPK1RAB9ASMN1; SMN2

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
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 EP disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed