SCHEMBL7912145

SCHEMBL7912145

CC[C@H]1CC[C@H](c2ccc(C(F)(F)Oc3ccc(F)cc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
DRD2 P14416 2/20 0.35
HTR1A P08908 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
CYP2C9 P11712 2/20 0.35
DGAT1 O75907 2/20 0.34
HTR2C P28335 2/20 0.34
ESR2 Q92731 2/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL7912139 1.00 ALDH1A1 (0.36) ALDH1A1LMNAMAPTDRD2HTR1A
SCHEMBL7909821 0.91 ALDH1A1 (0.46) ALDH1A1LMNAMAPTDRD2HTR1A
SCHEMBL7909828 0.91 ALDH1A1 (0.46) ALDH1A1LMNAMAPTDRD2HTR1A
SCHEMBL7732736 0.91 HTR2C (0.44) ALDH1A1LMNAMAPTDRD2CYP2C9
SCHEMBL7730716 0.91 KDM1A (0.42) ALDH1A1LMNAMAPTCYP2C9HTR2C
SCHEMBL7732732 0.91 HTR2C (0.44) ALDH1A1LMNAMAPTDRD2CYP2C9
SCHEMBL7730711 0.91 KDM1A (0.42) ALDH1A1LMNAMAPTCYP2C9HTR2C
SCHEMBL7735315 0.88 KDM1A (0.40) ALDH1A1LMNAMAPTCYP2C9HTR2C
SCHEMBL7735321 0.88 KDM1A (0.40) ALDH1A1LMNAMAPTCYP2C9HTR2C
SCHEMBL7731685 0.88 HTR2C (0.42) ALDH1A1LMNAMAPTDRD2CYP2C9

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
EP-0786509-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-09-12 EP disclosed
US-5792386-A A MIXTURE OF ALKYLCYCLOHEXYL(PHENYLENE)DIFLUROMETHOXY-BENZENES AND FLUORO-CONTAINING COMPOUNDS; LOW VISCOSITY; LOW TEMPERATURE MISCIBILITY; HEAT AND CHEMICAL RESISTANCE; ACTIVE MATRIX CHISSO CORPORATION (JP) 1998-08-11 US disclosed
EP-0786509-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed