SCHEMBL11850996

SCHEMBL11850996

CCCOc1[c]ccc(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MAPT P10636 5/20 0.36
POLB P06746 3/20 0.36
GPR55 Q9Y2T6 1/20 0.36
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
GAA P10253 2/20 0.33
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 3/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL9998500 0.91 LTA4H (0.35) ALDH1A1MAPTKDM4EKMT2AHTT
SCHEMBL15069616 0.89 ALDH1A1 (0.39) ALDH1A1MAPTGAATP53TSHR
SCHEMBL11212756 0.87 NR5A1 (0.40) ALDH1A1MAPTGAATP53TSHR
SCHEMBL11513183 0.84 NQO1 (0.36) ALDH1A1MAPTPOLBKDM4EKMT2A
SCHEMBL27997482 0.83 ALDH1A1 (0.35) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL5257818 0.81 TDP1 (0.33) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL1404367 0.81 KMT2A (0.41) MAPTKDM4EKMT2AMEN1TSHR
SCHEMBL20564353 0.79 HPGD (0.41) ALDH1A1MAPTPOLBKDM4EKMT2A
SCHEMBL197089 0.79 MAPT (0.37) ALDH1A1MAPTPOLBKDM4EKMT2A
SCHEMBL5754501 0.79 HTR2C (0.35) ALDH1A1MAPTPOLBKDM4EKMT2A

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-3992402-A OR FUNGICIDAL 5-POLYHALOETHYLIMINO- AND 5-POLYHALOVINYLIMINO-2,4-IMIDAZOLIDINEDIONES CHEVRON RESEARCH COMPANY (US) 1976-11-16 US disclosed