SCHEMBL8085294

SCHEMBL8085294

COc1ccc(-c2c3c(c(C)c4ccc5c(c24)OCO5)C(=O)NC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
NUAK1 O60285 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
AURKB Q96GD4 1/20 0.36
NQO2 P16083 2/20 0.36
CYP19A1 P11511 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL8072741 0.90 ALOX5 (0.38) ALOX5NPC1LMNAMAPTRAB9A
SCHEMBL8082124 0.87 PTGS2 (0.42) ALOX5NPC1RAB9ASMN1; SMN2NQO2
SCHEMBL8084922 0.86 ALOX5 (0.53) ALOX5NPC1LMNAMAPTRAB9A
SCHEMBL8082177 0.84 ALOX5 (0.38) ALOX5MAPTKDRNQO2CYP19A1
SCHEMBL8072409 0.84 NPC1 (0.38) NPC1LMNAMAPTRAB9ASMN1; SMN2
SCHEMBL8072861 0.80 PTGS2 (0.42) ALOX5NPC1LMNAMAPTRAB9A
SCHEMBL8080610 0.79 ALOX5 (0.50) ALOX5NPC1LMNAMAPTRAB9A
SCHEMBL8085115 0.79 ALOX5 (0.53) ALOX5NPC1LMNAMAPTRAB9A
SCHEMBL8072516 0.77 PTGS2 (0.40) NPC1RAB9ASMN1; SMN2NQO2
SCHEMBL8085117 0.76 ROCK2 (0.45) ALOX5NPC1LMNAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed