SCHEMBL6902978

SCHEMBL6902978

CCCCCOc1ccc(-c2ccc(-c3ccc(OC(=O)OC)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.61
▸ TP53 P04637 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ FAAH O00519 6/20 0.53
▸ PLA2G4B P0C869 1/20 0.53
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NR5A1 Q13285 1/20 0.51

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
SCHEMBL898713 0.87 TP53 (0.64) RARBTP53TSHRNPC1LMNA
SCHEMBL9697051 0.85 NPC1 (0.69) RARBTP53TSHRNPC1LMNA
SCHEMBL14802207 0.85 RARB (0.52) RARBTP53TSHRNPC1LMNA
SCHEMBL6899502 0.84 RARB (0.69) RARBTP53TSHRNPC1LMNA
SCHEMBL7690507 0.83 MAPT (0.58) RARBTSHRNPC1LMNACYP1A2
SCHEMBL6575501 0.83 TP53 (0.58) TP53TSHRNPC1LMNACYP1A2
SCHEMBL9356366 0.83 RARB (0.72) RARBTP53TSHRNPC1LMNA
SCHEMBL8943242 0.83 RARB (0.72) RARBTP53TSHRNPC1LMNA
SCHEMBL9436019 0.83 RARB (0.72) RARBTP53TSHRNPC1LMNA
SCHEMBL27309251 0.83 TP53 (0.59) RARBTP53TSHRNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156997-B1 METHOD FOR PRODUCING (1,1':4'1'')-TERPHENYL COMPOUNDS CLARIANT GMBH (DE) 2004-04-28 — — EP disclosed
Send feedback