SCHEMBL8578419

SCHEMBL8578419

COc1ccc2[nH]c(C)c(C(C)C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.51
▸ AKR1C2 P52895 1/20 0.50
▸ ALDH1A1 P00352 9/20 0.49
▸ KDM4E B2RXH2 6/20 0.49
▸ MAPT P10636 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ HPGD P15428 4/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MTNR1A P48039 3/20 0.46
▸ MTNR1B P49286 3/20 0.46
▸ GABRA1 P14867 2/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ GABRA3 P34903 2/20 0.43

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
SCHEMBL5270294 0.84 AKR1C2 (0.58) TRPV1AKR1C2ALDH1A1KDM4EMAPT
SCHEMBL8796396 0.81 TRPV1 (0.46) TRPV1AKR1C2ALDH1A1KDM4EMAPT
SCHEMBL4231077 0.78 ALDH1A1 (0.61) TRPV1AKR1C2ALDH1A1KDM4EMAPT
SCHEMBL14019351 0.78 ALDH1A1 (0.65) TRPV1AKR1C2ALDH1A1KDM4EMAPT
SCHEMBL8578425 0.76 AKR1C2 (0.54) TRPV1AKR1C2ALDH1A1KDM4EMAPT
SCHEMBL11458358 0.75 CTSV (0.51) TRPV1AKR1C2ALDH1A1KDM4EMAPT
SCHEMBL8681641 0.75 AKR1C2 (0.70) AKR1C2ALDH1A1KDM4EMAPTMEN1
SCHEMBL31676640 0.75 AKR1C2 (0.70) AKR1C2ALDH1A1KDM4EMAPTMEN1
SCHEMBL29123288 0.75 MAPT (0.47) TRPV1ALDH1A1KDM4EMAPTMEN1
SCHEMBL8877049 0.75 TRPV1 (0.51) TRPV1AKR1C2ALDH1A1KDM4EMAPT

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
US-5721347-A Esters and amides of substituted pyrrole acetic acids CELL PATHWAYS, INC. (US) 1998-02-24 — — US disclosed
EP-0485157-A2 Esters and amides of substituted pyrrole acetic acids FGN, INC. (US) 1992-05-13 — — EP disclosed
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