SCHEMBL6904592

SCHEMBL6904592

COc1ccc(Cc2c(C)c[c]cc2C)cc1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GPR55 Q9Y2T6 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HTR7 P34969 1/20 0.36
SLC6A4 P31645 4/20 0.35
KMT2A Q03164 2/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 3/20 0.34
TRPC5 Q9UL62 1/20 0.34
ATM Q13315 1/20 0.34
CYP17A1 P05093 1/20 0.34

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
SCHEMBL6863788 0.84 GAA (0.42) CA2POLBHPGDSMN1; SMN2GAA
SCHEMBL6858246 0.78 SMN1; SMN2 (0.46) HPGDSMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL6862641 0.76 SMN1; SMN2 (0.43) POLBSMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL4206031 0.74 PTGER1 (0.35) CA2POLBHPGDSMN1; SMN2GAA
SCHEMBL6862542 0.73 MTNR1A (0.43) HPGDSMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL6903617 0.73 MAPT (0.52) POLBSMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL3890253 0.73 MEN1 (0.51) SMN1; SMN2GAAALDH1A1KMT2AHTR2A
SCHEMBL4961897 0.73 PTGER1 (0.33) POLBHPGDSMN1; SMN2ALDH1A1GPR55
SCHEMBL3155899 0.73 OPRK1 (0.39) GAAALDH1A1
SCHEMBL27714459 0.72 LTA4H (0.50) CA2SMN1; SMN2ALDH1A1ATM

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
EP-1286957-B1 DIPHENYLMETHANE DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-11-03 EP disclosed