SCHEMBL13288453

SCHEMBL13288453

CCCCCc1ccc(-c2ccc3c(Cl)c(OS(=O)(=O)C(F)(F)F)ccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 8/20 0.41
▸ RARA P10276 2/20 0.41
▸ RARG P13631 1/20 0.41
▸ NCEH1 Q6PIU2 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ S1PR1 P21453 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35

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
SCHEMBL19796243 0.82 RARB (0.47) RARBRARARARGMEN1ALDH1A1
SCHEMBL13954072 0.82 CYP19A1 (0.40) NCEH1CA2CYP19A1CYP11B1CYP11B2
SCHEMBL13288464 0.76 KCNH2 (0.38) NCEH1CYP19A1
SCHEMBL8552231 0.76 RARB (0.52) RARBRARARARGMEN1ALDH1A1
SCHEMBL18541199 0.75 S1PR1 (0.43) RARBRARARARGMEN1ALDH1A1
SCHEMBL18541200 0.75 S1PR1 (0.43) RARBRARARARGMEN1ALDH1A1
SCHEMBL10179761 0.74 HTT (0.48) MEN1ALDH1A1MAPTKMT2ACA2
SCHEMBL10455918 0.74 PPARG (0.42) RARBRARARARGS1PR1CA2
SCHEMBL20048158 0.74 PPARA (0.42) RARBCA2CA1CA9FAAH
SCHEMBL2307736 0.74 ESR1 (0.60) RARBRARARARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727417-B2 Optically isotropic liquid crystal medium and optical device CHISSO CORPORATION (JP) 2010-06-01 — — US disclosed
US-20090051855-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE CHISSO CORPORATION (JP) 2009-02-26 — — US disclosed
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