SCHEMBL7816747

SCHEMBL7816747

CCC(=Cc1csc(C2(C)COc3cc4c(cc32)C(C)(C)CCC4(C)C)c1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.37
RARB P10826 10/20 0.37
RARG P13631 9/20 0.32
RARA P10276 7/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
NR4A2 P43354 3/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
CYP26A1 O43174 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL7816745 1.00 RXRA (0.37) RXRARARBRARGRARARXRB
SCHEMBL7805839 0.83 RARB (0.32) RXRARARB
SCHEMBL7810811 0.81 CYP26A1 (0.43) RXRARARBRARGRARARXRB
SCHEMBL7812405 0.81 CYP26A1 (0.43) RXRARARBRARGRARARXRB
SCHEMBL7816750 0.78 RXRA (0.33) RXRARARBRARGRARARXRB
SCHEMBL7812219 0.77 RXRA (0.43) RXRARARBRARGRARARXRB
SCHEMBL7812403 0.76 RXRA (0.35) RXRARARBRARGRARARXRB
SCHEMBL8425328 0.73
SCHEMBL7813043 0.73 RARA (0.34) RXRARARBRARGRARARXRG
SCHEMBL7806225 0.73 RARA (0.34) RXRARARBRARGRARARXRG

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-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