SCHEMBL7897308

SCHEMBL7897308

C=C(c1cccc(C=O)c1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 14/20 0.60
RARG P13631 12/20 0.60
RARA P10276 11/20 0.60
RXRA P19793 11/20 0.60
RXRB P28702 7/20 0.60
RXRG P48443 5/20 0.60
CYP26A1 O43174 4/20 0.46
RECQL P46063 2/20 0.46
BLM P54132 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL7889455 0.86 RXRA (0.61) RARBRARGRARARXRARXRB
SCHEMBL7756626 0.84 CYP26A1 (0.65) RARBRARGRARARXRARXRB
SCHEMBL7756622 0.84 CYP26A1 (0.65) RARBRARGRARARXRARXRB
SCHEMBL7756615 0.81 RXRA (0.77) RARBRARGRARARXRARXRB
SCHEMBL7756675 0.81 RARB (0.81) RARBRARGRARARXRARXRB
SCHEMBL7759779 0.78 RARA (0.51) RARBRARGRARARXRARXRB
SCHEMBL7761551 0.78 RARA (0.51) RARBRARGRARARXRARXRB
SCHEMBL7896511 0.77 RXRA (0.63) RARBRARGRARARXRARXRB
SCHEMBL7897272 0.77 RXRA (0.56) RARBRARGRARARXRARXRB
SCHEMBL8124463 0.77 RARA (0.62) RARBRARGRARACYP26A1NPC1

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
US-6258775-B1 3-(3-(5,5,8,8-TETRAMATHYL-5,6,7,8-TETRAHYDRO-2-NAPHTYLCARBONYL )PHENYL)ACRYLIC ACID FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2001-07-10 US disclosed