SCHEMBL11458358

SCHEMBL11458358

COc1ccc2[nH]c(C)c(C(C)C(=O)OC(=O)c3ccc([N+](=O)[O-])cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.51
▸ CTSL P07711 1/20 0.51
▸ TRPV1 Q8NER1 2/20 0.49
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ AKR1C2 P52895 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ FAAH O00519 1/20 0.40

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
SCHEMBL8578419 0.75 TRPV1 (0.51) TRPV1TDP1L3MBTL1KMT2AMEN1
SCHEMBL5270294 0.75 AKR1C2 (0.58) TRPV1TDP1L3MBTL1KMT2AMEN1
SCHEMBL8686345 0.73 TRPV1 (0.50) TRPV1KMT2AMEN1AKR1C2MAPT
SCHEMBL11832981 0.72 TRPV1 (0.51) TRPV1HTTKMT2AMEN1AKR1C2
SCHEMBL1181214 0.72 CTSV (0.86) CTSVCTSLMAPK1HTTKMT2A
SCHEMBL4231077 0.69 ALDH1A1 (0.61) TRPV1KMT2AMEN1AKR1C2MAPT
SCHEMBL14019351 0.69 ALDH1A1 (0.65) TRPV1KMT2AMEN1AKR1C2MAPT
SCHEMBL8122137 0.69 TRPV1 (0.45) TRPV1KMT2AMEN1AKR1C2MAPT
SCHEMBL9400558 0.68 MAPT (0.54) CTSVCTSLHTTL3MBTL1KMT2A
SCHEMBL28048707 0.68 KMT2A (0.59) CTSVCTSLHTTKMT2AMAPT

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
US-4181740-A Indolyl acetic acid derivative PIERREL S.P.A. (IT) 1980-01-01 — — US disclosed
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