SCHEMBL9399803

SCHEMBL9399803

CCCCCCOc1c(F)cc(-c2ccc(CCCCC)cc2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.57
RARA P10276 2/20 0.57
RARG P13631 1/20 0.57
HSD17B10 Q99714 3/20 0.48
TSHR P16473 1/20 0.48
HTR2A P28223 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
MTOR P42345 1/20 0.47
USP2 O75604 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL9399219 1.00 RARB (0.57) RARBRARARARGHSD17B10TSHR
SCHEMBL9399575 0.95 RARB (0.55) RARBRARARARGHSD17B10TSHR
SCHEMBL19829091 0.88 RARB (0.53) RARBRARARARGHSD17B10TSHR
SCHEMBL18314263 0.85 RARB (0.40) RARBRARARARGTSHRALDH1A1
SCHEMBL10975282 0.84 RARB (0.59) RARBRARARARGHSD17B10TSHR
SCHEMBL10979316 0.84 RARB (0.59) RARBRARARARGHSD17B10TSHR
SCHEMBL10975079 0.84 RARB (0.59) RARBRARARARGHSD17B10TSHR
SCHEMBL10979911 0.84 RARB (0.59) RARBRARARARGHSD17B10TSHR
SCHEMBL10979446 0.84 RARB (0.59) RARBRARARARGHSD17B10TSHR
SCHEMBL10986242 0.84 RARB (0.59) RARBRARARARGHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338483-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-08-16 US disclosed
US-5310501-A Anisotropic compounds having Nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-05-10 US disclosed
US-5227484-A ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1993-07-13 US disclosed
US-5179101-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1993-01-12 US disclosed
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed