SCHEMBL9624358

SCHEMBL9624358

CCCCCCCCc1ccc(-c2ccc(OCc3ccc(OCCC(CCCC)C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PLA2G4A P47712 2/20 0.41
S1PR1 P21453 3/20 0.41
SIGMAR1 Q99720 1/20 0.40
S1PR4 O95977 2/20 0.40
S1PR5 Q9H228 2/20 0.40
S1PR2 O95136 1/20 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
SCHEMBL9626164 0.89 RARB (0.46) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9625115 0.83 RARB (0.58) MEN1ALDH1A1KMT2ATSHRPLA2G4A
SCHEMBL9693913 0.83 RAB9A (0.50) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9625879 0.83 RARB (0.50) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL10339674 0.82 HRH3 (0.61) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL21125157 0.79 ALDH1A1 (0.63) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9624295 0.79 SMN1; SMN2 (0.44) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9123747 0.79 RAB9A (0.63) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL8374322 0.79 LTA4H (0.57) MEN1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL9126071 0.78 RAB9A (0.53) MEN1USP2ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301511-B1 OPTICALLY ACTIVE COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME CANON KABUSHIKI KAISHA (JP) 1992-01-22 EP disclosed
US-5073306-A Trifluoromethylalkyl substituted CANON KABUSHIKI KAISHA (JP) 1991-12-17 US disclosed
US-4918213-A HAVING A TRIFLUOROMETHYL GROUP ATTACHED TO ASYMMETRIC CARBON ATOM; STABLE; OPTICAL DEVICES CANON KABUSHIKI KAISHA (JP) 1990-04-17 US disclosed
EP-0301511-A1 Optically active compound and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-02-01 EP disclosed