SCHEMBL8329965

SCHEMBL8329965

Cc1ccc(C(=O)O)c(C)c1.Cc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ TNF P01375 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CDK5 Q00535 1/20 0.50
▸ KLF5 Q13887 1/20 0.50
▸ CDK5R1 Q15078 1/20 0.50
▸ NOD1 Q9Y239 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ NFE2L2 Q16236 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.45
▸ MYC P01106 1/20 0.45
▸ LDHA P00338 1/20 0.45
▸ SORT1 Q99523 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
SCHEMBL8813352 0.82 GAA (0.48) LMNAGAANPC1TNFPKM
SCHEMBL5072439 0.81 ADORA3 (0.58) LMNAGAANPC1TNFPKM
SCHEMBL107259 0.81 CSNK2A1 (0.59) MEN1KMT2AKDM4EHTTNFE2L2
SCHEMBL30679777 0.81 CSNK2A1 (0.59) MEN1KMT2AKDM4EHTTNFE2L2
SCHEMBL629943 0.80 NPC1 (0.47) LMNAGAANPC1RAB9AMEN1
SCHEMBL6912721 0.79 CSNK2A1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6915580 0.79 CSNK2A1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6917296 0.79 CSNK2A1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6916723 0.79 CSNK2A1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E
Bromide SCHEMBL6113400 0.79 CSNK2A1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E

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-5888940-A DESICCATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-30 — — US disclosed
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