SCHEMBL7812403

SCHEMBL7812403

C=C(C(=O)O)c1csc(C2(C)COc3cc4c(cc32)C(C)(C)CCC4(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.35
RARB P10826 9/20 0.35
RARG P13631 8/20 0.35
RXRB P28702 4/20 0.35
RXRG P48443 4/20 0.35
RARA P10276 4/20 0.35
NR4A2 P43354 4/20 0.35
MEN1 O00255 1/20 0.34
CYP26A1 O43174 1/20 0.34
ABCB11 O95342 1/20 0.34
ESR1 P03372 1/20 0.34
PGR P06401 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL7812219 0.89 RXRA (0.43) RXRARARBRARGRXRBRXRG
SCHEMBL8423718 0.83 CYP3A4 (0.38) RXRARARBRARGRXRBRXRG
SCHEMBL7816750 0.82 RXRA (0.33) RXRARARBRARGRXRBRXRG
SCHEMBL7806225 0.77 RARA (0.34) RXRARARBRARGRXRGRARA
SCHEMBL7812405 0.77 CYP26A1 (0.43) RXRARARBRARGRXRBRXRG
SCHEMBL7813043 0.77 RARA (0.34) RXRARARBRARGRXRGRARA
SCHEMBL7810811 0.77 CYP26A1 (0.43) RXRARARBRARGRXRBRXRG
SCHEMBL7816747 0.76 RXRA (0.37) RXRARARBRARGRXRBRXRG
SCHEMBL7816745 0.76 RXRA (0.37) RXRARARBRARGRXRBRXRG
SCHEMBL7805839 0.75 RARB (0.32) RXRARARB

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-0816352-B1 Bi-aryl heterocyclic compounds and their use in human or veterinary medicine and in cosmetics CT INTERNAT DE (FR) 2001-02-21 EP claimed
EP-0816352-B1 Bi-aryl heterocyclic compounds and their use in human or veterinary medicine and in cosmetics CT INTERNAT DE (FR) 2001-02-21 EP disclosed
EP-0816352-A1 Bi-aryl heterocyclic compounds and their use in human or veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-01-07 EP disclosed