SCHEMBL7889481

SCHEMBL7889481

CCOC(=O)C=Cc1cccc(C(NO)c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.44
RXRA P19793 4/20 0.42
HNF4A P41235 2/20 0.42
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALOX5 P09917 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAOB P27338 1/20 0.38
MDM4 O15151 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MDM2 Q00987 1/20 0.38
RARA P10276 1/20 0.37

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
SCHEMBL7761259 0.88 RXRA (0.50) BACE1RXRAHNF4ATTRDPP4
SCHEMBL7762902 0.88 RXRA (0.50) BACE1RXRAHNF4ATTRDPP4
SCHEMBL7760216 0.88 BACE1 (0.45) BACE1RXRATTRDPP4CA12
SCHEMBL7889498 0.87 RXRA (0.52) RXRAHNF4ACYP3A4KDM4ERARA
SCHEMBL7756631 0.87 RXRA (0.52) RXRAHNF4ACYP3A4KDM4ERARA
SCHEMBL7761308 0.80 RXRA (0.49) BACE1RXRATTRDPP4CA12
SCHEMBL7761301 0.80 RXRA (0.49) BACE1RXRATTRDPP4CA12
SCHEMBL7761315 0.79 RARA (0.39) BACE1RXRATTRDPP4CA12
SCHEMBL6874284 0.78 RXRA (0.50) BACE1RXRATTRDPP4CA12
SCHEMBL6880803 0.75 RARA (0.50) BACE1RXRATTRDPP4CA12

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 2 patents. 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 claimed
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