SCHEMBL8452971

SCHEMBL8452971

CCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(CCc4ccc(Cl)cc4)cc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
DRD2 P14416 1/20 0.49
SPHK1 Q9NYA1 9/20 0.46
LSS P48449 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ESR2 Q92731 1/20 0.41
SPHK2 Q9NRA0 5/20 0.40

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
SCHEMBL8452979 1.00 CYP2C9 (0.51) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL8452974 1.00 CYP2C9 (0.51) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL8377290 0.98 CYP2C9 (0.52) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL8377293 0.98 CYP2C9 (0.52) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL8456008 0.91 SPHK1 (0.50) CYP2C9ALDH1A1LMNAMAPTDRD2
SCHEMBL8456003 0.91 SPHK1 (0.50) CYP2C9ALDH1A1LMNAMAPTDRD2
SCHEMBL8456000 0.91 SPHK1 (0.50) CYP2C9ALDH1A1LMNAMAPTDRD2
SCHEMBL8453052 0.91 DRD2 (0.45) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL8453057 0.91 DRD2 (0.45) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL8453055 0.91 DRD2 (0.45) CYP2C9MEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858275-A Chlorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1999-01-12 US disclosed
CN-1158601-A Chlorobenzene derivatives and liquid crystal compositions containing the same CHISSO CORP (JP) 1997-09-03 CN disclosed
EP-0785179-A1 CHLOROBENZENE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1997-07-23 EP disclosed