SCHEMBL7932612

SCHEMBL7932612

O=C(O)c1ccc(C#C/C=C/c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.46
RARB P10826 8/20 0.44
RARG P13631 7/20 0.44
RARA P10276 6/20 0.44
SRD5A2 P31213 2/20 0.43
MAP4K4 O95819 1/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
CYP1A1 P04798 1/20 0.40
MAOB P27338 1/20 0.40
CYP1B1 Q16678 1/20 0.40
P2RY14 Q15391 1/20 0.37
BACE1 P56817 1/20 0.37
EPHX2 P34913 1/20 0.36
DHODH Q02127 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
SCHEMBL7928924 0.88 RARB (0.44) RARBRARGRARARXRARXRB
SCHEMBL6473734 0.88 RARB (0.44) RARBRARGRARARXRARXRB
SCHEMBL6479998 0.88 RARB (0.44) RARBRARGRARARXRARXRB
SCHEMBL7929309 0.87 BCL2L1 (0.45) RARBRARGRARAMAP4K4RXRA
SCHEMBL8175888 0.87 PTPN1 (0.38) RARBRARGRARACYP1A1CYP1B1
SCHEMBL7931791 0.86 BACE1 (0.44) RARBRARGRARASRD5A2RXRA
SCHEMBL7922675 0.85 RARB (0.46) RARBRARGRARASRD5A2RXRA
SCHEMBL7922764 0.85 ALOX15 (0.41) RARBRARGRARASRD5A2MAP4K4
SCHEMBL1683992 0.85 RARB (0.53) RARBRARGRARASRD5A2MAP4K4
SCHEMBL7922763 0.85 ALOX15 (0.41) RARBRARGRARASRD5A2MAP4K4

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
EP-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 EP claimed
US-6150413-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-11-21 US claimed
EP-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 EP disclosed
US-6150413-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-11-21 US disclosed
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 EP disclosed