SCHEMBL7698741

SCHEMBL7698741

CCOC(=O)c1ccc(C(=O)Nc2cc3c(cc2F)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 8/20 0.48
RARB P10826 8/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 2/20 0.47
RARG P13631 5/20 0.47
CYP1A2 P05177 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP26A1 O43174 2/20 0.44
PGR P06401 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
TBXA2R P21731 1/20 0.44
BLVRB P30043 1/20 0.44
MAPT P10636 2/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL7691901 0.83 RARB (0.64) RARARARBRARGCYP1A2MEN1
SCHEMBL22001408 0.81 RARA (0.69) RARARARBLMNASMN1; SMN2RAB9A
SCHEMBL7758832 0.81 RARG (0.49) RARARARBKDM4ELMNASMN1; SMN2
SCHEMBL9007231 0.79 RARA (0.69) RARARARBSMN1; SMN2RAB9ANPC1
SCHEMBL7157762 0.76 RARG (0.45) RARARARBKDM4ELMNASMN1; SMN2
SCHEMBL3819796 0.76 RARB (0.60) RARARARBRARGCYP26A1CYP3A4
SCHEMBL7158029 0.75 RARA (0.67) RARARARBSMN1; SMN2RAB9ANPC1
SCHEMBL7153712 0.74 RXRA (0.52) RARARARBRARGTSHRRXRA
SCHEMBL7755634 0.74 RARA (0.57) RARARARBKDM4ELMNASMN1; SMN2
SCHEMBL7760659 0.74 RARA (0.52) RARARARBKDM4ELMNASMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876330-B1 ARYL OR HETEROARYL AMIDES OF TETRAHYDRONAPHTHALENE, CHROMAN, THIOCHROMAN AND 1,2,3,4-TETRAHYDROQUINOLINE CARBOXYLIC ACIDS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES INC (US) 2001-03-28 EP claimed
US-6342602-B1 BIND SPECIFICALLY OR SELECTIVELY TO RAR-ALPHA RECEPTORS ALLERGAN SALES, INC. 2002-01-29 US disclosed
EP-0876330-B1 ARYL OR HETEROARYL AMIDES OF TETRAHYDRONAPHTHALENE, CHROMAN, THIOCHROMAN AND 1,2,3,4-TETRAHYDROQUINOLINE CARBOXYLIC ACIDS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES INC (US) 2001-03-28 EP disclosed
US-6124455-A Aryl or heteroaryl amides of tetrahydronaphthalene, chroman, thiochroman and 1,2,3,4-tetrahydroquinoline carboxylic acids, having an electron withdrawing substituent in the aromatic or heteroaromatic moiety, having retinoid-like biological activity ALLERGAN SALES, INC. (US) 2000-09-26 US disclosed
US-6034244-A ANTIINFLAMMATORY AGENTS; SKIN DISORDERS; ANTICANCER AGENT ALLERGAN SALES, INC. (US) 2000-03-07 US disclosed
US-5856490-A Aryl or heteroaryl amides of tetrahydronaphthalene, chroman, thiochroman and 1,2,3,4-tetrahydroquinoline carboxylic acids, having an electron withdrawing substituent in the aromatic or heteroaromatic moiety, having retinoid-like biological activity ALLERGAN (US) 1999-01-05 US disclosed
US-5675024-A RETINOID RECEPTOR AGONISTS ALLERGAN (US) 1997-10-07 US disclosed