SCHEMBL9850280

SCHEMBL9850280

CCCc1cc2c(cc1C(=O)Oc1ccc(C(=O)OC)cc1)C(C)(C)CC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
RARB P10826 5/20 0.39
RARA P10276 4/20 0.39
CYP3A4 P08684 3/20 0.39
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 1/20 0.38
RARG P13631 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.37
MGLL Q99685 1/20 0.36
CYP26A1 O43174 2/20 0.36
MEN1 O00255 2/20 0.35

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
SCHEMBL9850140 0.93 MAPT (0.41) RXRARARBRARACYP3A4KMT2A
SCHEMBL9850216 0.91 RARA (0.49) RXRARARBRARAKMT2AALDH1A1
SCHEMBL9850214 0.91 RXRA (0.52) RXRARARBRARARARG
SCHEMBL9850094 0.90 MAPT (0.43) RXRARARBRARAKMT2AALDH1A1
SCHEMBL9850223 0.86 HIF1A (0.42) RXRARARBRARACYP3A4KMT2A
SCHEMBL9850236 0.86 RARB (0.45) RARBRARACYP3A4KMT2AALDH1A1
SCHEMBL9850095 0.85 RARA (0.47) RXRARARBRARAKMT2AALDH1A1
SCHEMBL9850227 0.85 RXRA (0.48) RXRARARBRARATSHR
SCHEMBL9850358 0.84 RARB (0.50) RXRARARBRARACYP3A4KMT2A
SCHEMBL9850263 0.84 MAPT (0.45) RXRARARBRARACYP3A4KMT2A

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
EP-0435681-A1 Chroman esters of phenols and benzoic acids having retinoid-like activity ALLERGAN, INC. (US) 1991-07-03 EP disclosed
US-5006550-A Skin disorder, arthritis, wound healing agents, dry eye syndrome ALLERGAN, INC. (US) 1991-04-09 US disclosed