SCHEMBL3669327

SCHEMBL3669327

CCCCc1ccc(-c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 2/20 0.60
RARB P10826 6/20 0.53
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
FDFT1 P37268 1/20 0.45
HSD11B1 P28845 1/20 0.45
HTR2A P28223 1/20 0.45
BDKRB2 P30411 1/20 0.44
HPGD P15428 1/20 0.44
NISCH Q9Y2I1 1/20 0.44

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
SCHEMBL8090819 0.94 UCHL3 (0.56) UCHL3RARBHSD17B10ALDH1A1CA1
SCHEMBL258104 0.91 UCHL3 (0.53) UCHL3RARBAKR1C2AKR1C1HSD17B10
SCHEMBL919089 0.91 UCHL3 (0.53) UCHL3RARBAKR1C2AKR1C1HSD17B10
SCHEMBL28900121 0.88 RARB (0.53) UCHL3RARBAKR1C2AKR1C1HSD17B10
SCHEMBL8091009 0.88 HTR2A (0.56) UCHL3HSD17B10ALDH1A1CA2HTR2A
SCHEMBL5275137 0.88 ACACB (0.49) UCHL3MEN1MAPTKMT2ACA2
SCHEMBL16668623 0.86 HTR2A (0.59) UCHL3HSD17B10TSHRALDH1A1HTR2A
SCHEMBL4063423 0.86 HTR2A (0.59) UCHL3HSD17B10TSHRALDH1A1HTR2A
SCHEMBL17439642 0.86 HTR2A (0.59) UCHL3HSD17B10TSHRALDH1A1HTR2A
SCHEMBL8028842 0.86 HTR2A (0.59) UCHL3HSD17B10TSHRALDH1A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155763-A1 METHOD FOR SYNTHESIZING CYCLOHEXYL-SUBSTITUTED PHOSPHINES BASF SE (DE) 2010-02-24 EP disclosed
WO-2008135594-A1 METHOD FOR SYNTHESIZING CYCLOHEXYL-SUBSTITUTED PHOSPHINES BASF SE (DE) 2008-11-13 WO disclosed