SCHEMBL9712495

SCHEMBL9712495

CCCc1ccc(C(=O)c2c(C)cccc2C(=O)Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
POLB P06746 3/20 0.44
CTDSP1 Q9GZU7 3/20 0.44
KMT2A Q03164 2/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
PLK1 P53350 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
CNR2 P34972 1/20 0.42
THRB P10828 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
GPR52 Q9Y2T5 1/20 0.37
TRPV1 Q8NER1 1/20 0.36

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
Hydrochloric Acid SCHEMBL8177744 0.89 GAA (0.40) GAANPC1RAB9APOLBCTDSP1
SCHEMBL9712475 0.88 ALDH1A1 (0.43) GAANPC1RAB9APOLBPLK1
SCHEMBL9712837 0.80 ALDH1A1 (0.39) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL27321464 0.80 AKR1C3 (0.46) GAANPC1RAB9APOLBKMT2A
SCHEMBL9712453 0.79 LMNA (0.49) NPC1RAB9APOLBKMT2APLK1
Hydrochloric Acid SCHEMBL8174286 0.78 GAA (0.36) GAANPC1RAB9APOLBPLK1
SCHEMBL9712437 0.77 CNR1 (0.40) NPC1RAB9APOLBKMT2AALDH1A1
SCHEMBL9712552 0.77 KMT2A (0.55) GAANPC1RAB9AKMT2AALDH1A1
SCHEMBL9712383 0.75 TAS1R3 (0.35) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL9712598 0.75 CA1 (0.41) NPC1RAB9APOLBALDH1A1L3MBTL1

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-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed