SCHEMBL7756697

SCHEMBL7756697

Cc1cc2c(cc1C1(c3ccccc3C(=O)C=CN3CCOCC3)CC1)C(C)(C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.43
IDO1 P14902 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXRA P19793 13/20 0.42
USP2 O75604 3/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX12 P18054 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPK1 P28482 1/20 0.41
RXRB P28702 9/20 0.39
RXRG P48443 9/20 0.39

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
SCHEMBL7756689 0.86 RXRA (0.44) MAPTNPC1RAB9AHPGDTP53
SCHEMBL7759761 0.83 RXRA (0.47) MAPTNPC1RAB9AHPGDTP53
SCHEMBL7762869 0.77 KDM4E (0.50) NPC1RAB9AHPGDRXRAALDH1A1
SCHEMBL8333684 0.76 RXRA (0.61) RXRAMEN1KMT2ARXRBRXRG
SCHEMBL7760220 0.73 RXRA (0.48) MAPTNPC1RAB9AHPGDTP53
SCHEMBL7759767 0.69 ALDH1A1 (0.51) NPC1RAB9AHPGDRXRAALDH1A1
SCHEMBL7761215 0.69 RXRA (0.52) RXRARXRBRXRGRARGRARB
SCHEMBL7761270 0.69 RXRA (0.52) RXRARXRBRXRGRARGRARB
SCHEMBL7761548 0.68 RXRA (0.48) RXRAMEN1KMT2ARXRBRXRG
SCHEMBL7762916 0.66 RXRA (0.53) RXRAMEN1KMT2ARXRBRXRG

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 4 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
EP-0915823-B1 BI-AROMATIC COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES CT INTERNAT DE (FR) 2001-04-18 EP 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
EP-0915823-B1 BI-AROMATIC COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME AND USES CT INTERNAT DE (FR) 2001-04-18 EP disclosed