SCHEMBL7239308

SCHEMBL7239308

CCC/C(F)=C(\F)c1ccc(-c2cc(CC)ccc2C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 6/20 0.42
BCL2 P10415 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RARB P10826 6/20 0.40
ALDH1A1 P00352 1/20 0.40
FOLH1 Q04609 1/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
METAP2 P50579 1/20 0.38
AGTR1 P30556 1/20 0.37
MCL1 Q07820 1/20 0.36

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
SCHEMBL7239310 1.00 LTB4R2 (0.42) LTB4R2BCL2RXRARXRBRARB
SCHEMBL7239672 0.86 MCL1 (0.47) LTB4R2RARBALDH1A1RARARARG
SCHEMBL7239666 0.86 MCL1 (0.47) LTB4R2RARBALDH1A1RARARARG
SCHEMBL7240722 0.84 LTB4R2 (0.49) LTB4R2RARBRARARARGAGTR1
SCHEMBL7240724 0.84 LTB4R2 (0.49) LTB4R2RARBRARARARGAGTR1
SCHEMBL7232047 0.84 LTB4R2 (0.39) LTB4R2RARBALDH1A1RAB9ASMN1; SMN2
SCHEMBL7232053 0.84 LTB4R2 (0.39) LTB4R2RARBALDH1A1RAB9ASMN1; SMN2
SCHEMBL7240645 0.83 RARB (0.56) RARBALDH1A1RARARARG
SCHEMBL7240642 0.83 RARB (0.56) RARBALDH1A1RARARARG
SCHEMBL7236328 0.82 MCL1 (0.45) LTB4R2RARBFOLH1RARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6623810-B2 Refractive index anisotropy SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-23 US disclosed
US-20010050353-A1 Phenylacetylene compound, liquid crystal composition, and liquid crystal element produced with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-13 US disclosed
EP-0781827-B1 Liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL CO (JP) 2001-06-13 EP disclosed
US-6149837-A SUBSTITUTED 1,4-BIS(SUBSTITUED PHENYLACETYLENE)BENZENE WHERE AT LEAST ONE RING HAS AN ALKYL ATTACHMENT, HAS A LARGE ANISOTROPY OF REFRACTIVE INDEX, TENDS TO BE MIXED WITH OTHER LIQUID CRYSTALS, IS LIGHT STABLE; LIQUID CRYSTAL ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-11-21 US disclosed
EP-0781827-A1 Liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-02 EP disclosed