SCHEMBL8158757

SCHEMBL8158757

CC1(C)CC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc2O1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 11/20 0.62
RARB P10826 9/20 0.62
RARG P13631 8/20 0.62
CYP26A1 O43174 5/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
CYP3A4 P08684 3/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP2C19 P33261 1/20 0.62
CYP26B1 Q9NR63 2/20 0.53
PGR P06401 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
TBXA2R P21731 1/20 0.52
BLVRB P30043 1/20 0.52
SSTR5 P35346 1/20 0.46
PKM P14618 2/20 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
SCHEMBL5736575 0.86 SSTR5 (0.50) RARARARBRARGCYP26A1ALDH1A1
SCHEMBL8702476 0.82 RARA (0.64) RARARARBRARGCYP26A1MEN1
Terephthalic Acid SCHEMBL9872879 0.81 SSTR5 (0.49) RARARARBRARGCYP26A1CYP3A4
SCHEMBL9141299 0.79 KMT2A (0.56) RARARARBRARGCYP26A1MEN1
SCHEMBL9850145 0.78 SSTR5 (0.46) RARARARBRARGCYP26A1CYP3A4
SCHEMBL9180357 0.78 RARB (0.60) RARARARBRARGCYP26A1CYP3A4
SCHEMBL4420510 0.77 AKR1B1 (0.43) RARARARBRARGCYP26A1CYP26B1
SCHEMBL9076000 0.77 RARB (0.71) RARARARBRARGCYP26A1CYP3A4
SCHEMBL9076004 0.77 RARB (0.71) RARARARBRARGCYP26A1CYP3A4
SCHEMBL9076001 0.77 RARB (0.71) RARARARBRARGCYP26A1CYP3A4

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
EP-1025857-A1 RETINOIC ACID AGONISTS AS PREVENTIVE AND THERAPEUTIC AGENTS FOR NEPHRITIS Eisai Co., Ltd. (JP) 2000-08-09 EP claimed