SCHEMBL8072409

SCHEMBL8072409

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NQO2 P16083 2/20 0.38
CDK2 P24941 3/20 0.37
CYP19A1 P11511 1/20 0.37
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
PDGFRB P09619 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL8080564 0.89 CDK2 (0.41) NPC1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL8086666 0.86 PTGS2 (0.44) NPC1SMN1; SMN2RAB9ANQO2CDK2
SCHEMBL8082065 0.85 ALOX5 (0.45) NPC1RAB9ANQO2CYP19A1MEN1
SCHEMBL8085294 0.84 ALOX5 (0.38) NPC1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL8082332 0.83 MAP2K4 (0.37) MAPTNQO2CDK2CYP19A1CYP1A2
SCHEMBL8086663 0.79 PTGS2 (0.44) NPC1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL8080517 0.79 APP (0.41) NPC1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL8085195 0.78 MAPT (0.45) NPC1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL8086669 0.76 CYP19A1 (0.40) NPC1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL8072741 0.75 ALOX5 (0.38) NPC1SMN1; SMN2LMNAMAPTRAB9A

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