SCHEMBL8993130

SCHEMBL8993130

Cc1c(CCl)ccc(Cc2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 3/20 0.46
CALM1 P0DP23 1/20 0.44
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
ALOX5 P09917 1/20 0.41
CNR2 P34972 2/20 0.40
GPR55 Q9Y2T6 2/20 0.40
HTR2A P28223 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8098213 0.89 CALM1 (0.55) CTRCCALM1BCL2BCL2L1ALOX5
SCHEMBL27538653 0.82 CTRC (0.49) CTRCCALM1BCL2BCL2L1ALOX5
SCHEMBL7990271 0.81 CALM1 (0.46) CTRCCALM1BCL2BCL2L1ALOX5
SCHEMBL8005691 0.81 TP53 (0.48) CTRCCALM1BCL2BCL2L1ALOX5
SCHEMBL8932351 0.81 POLB (0.47) CTRCCALM1BCL2BCL2L1ALOX5
Ammonia Solution, Strong SCHEMBL3291590 0.80 CTRC (0.47) CTRCCALM1BCL2BCL2L1ALOX5
SCHEMBL1019627 0.79 PON1 (0.35) KMT2A
SCHEMBL3821433 0.78 HTR2A (0.56) CTRCCALM1BCL2BCL2L1ALOX5
SCHEMBL7861886 0.78 CALM1 (0.52) CTRCCALM1BCL2BCL2L1ALOX5
SCHEMBL7114512 0.78 ALOX5 (0.46) CTRCCALM1BCL2BCL2L1ALOX5

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-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed