SCHEMBL8079803

SCHEMBL8079803

C=CC(=O)Oc1c(C(C)c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC(=O)C=C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.34
PPARG P37231 12/20 0.34
RARG P13631 5/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
RARA P10276 3/20 0.32
RARB P10826 3/20 0.32
RXRB P28702 3/20 0.32
RXRG P48443 3/20 0.32
VCAM1 P19320 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL499910 0.94 CYP3A4 (0.40) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL30238059 0.94 CYP3A4 (0.40) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL1108013 0.87 RXRA (0.39) RXRAPPARGRARGRARARARB
SCHEMBL13256698 0.87 L3MBTL1 (0.33) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL30912101 0.84 CYP1A2 (0.36) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL13256699 0.84 CYP1A2 (0.36) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL4411077 0.83 CYP1A2 (0.39) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL16280978 0.83 RXRA (0.34) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL2706555 0.82 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL14125269 0.82 CYP1A2 (0.33) RXRAPPARGRARGCYP1A2CYP3A4

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-0243956-B1 ADHESIVE COMPOSITIONS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-12-11 EP claimed
EP-0659787-B1 Block copolymers and high shear strength pressure sensitive adhesive compositions comprising them SHELL INT RESEARCH (NL) 2000-09-20 EP disclosed
EP-0659787-A1 Block copolymers and high shear strength pressure sensitive adhesive compositions comprising them SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-06-28 EP disclosed