SCHEMBL7691901

SCHEMBL7691901

CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)c(F)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.64
RARG P13631 13/20 0.64
RARA P10276 9/20 0.64
CYP26A1 O43174 4/20 0.64
CYP3A4 P08684 4/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
PGR P06401 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
TBXA2R P21731 1/20 0.64
BLVRB P30043 1/20 0.64
RXRA P19793 13/20 0.61
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP2C19 P33261 1/20 0.60
RXRB P28702 9/20 0.52
RXRG P48443 7/20 0.52

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
SCHEMBL8459822 0.85 RARB (0.65) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9868167 0.85 RARB (0.65) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8458419 0.84 RARB (0.64) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8458901 0.84 RARB (0.64) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7698741 0.83 RARA (0.48) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8469432 0.82 RARG (0.50) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8458254 0.80 RARB (0.58) RARBRARGRARACYP26A1CYP3A4
Tamibarotene SCHEMBL29373818 0.78 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
Tamibarotene SCHEMBL36207 0.78 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7155475 0.78 RARB (0.67) RARBRARGRARACYP26A1CYP3A4

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 6 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-5675024-A RETINOID RECEPTOR AGONISTS ALLERGAN (US) 1997-10-07 US disclosed