SCHEMBL9544593

SCHEMBL9544593

O=C(CN1C(=O)C2(Cc3ccc(Cl)cc3C2)c2ccccc21)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.50
PTGDR2 Q9Y5Y4 9/20 0.48
C5AR1 P21730 1/20 0.45
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9543551 0.91 OPRL1 (0.48) OPRL1ALDH1A1L3MBTL1LMNA
SCHEMBL17830714 0.79 PTGDR2 (0.51) PTGDR2
SCHEMBL17830713 0.76 USP2 (0.44) PTGDR2ALDH1A1L3MBTL1LMNA
SCHEMBL15156486 0.75 TP53 (0.52) OPRL1ALDH1A1L3MBTL1LMNA
SCHEMBL9774497 0.74 PTGDR2 (0.48) OPRL1PTGDR2ALDH1A1
SCHEMBL9541775 0.73 TDP1 (0.51) OPRL1ALDH1A1L3MBTL1LMNA
SCHEMBL17830710 0.70 ALDH1A1 (0.64) ALDH1A1
SCHEMBL9774461 0.69 TDP1 (0.42) OPRL1ALDH1A1L3MBTL1LMNA
SCHEMBL29347277 0.69 ALDH1A1 (0.42) OPRL1ALDH1A1L3MBTL1LMNA
SCHEMBL31748131 0.69 ALDH1A1 (0.42) OPRL1ALDH1A1L3MBTL1LMNA

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
WO-1993012786-A1 INDOLINONE DERIVATIVES HOWARD HARRY R JR (US) 1993-07-08 WO disclosed
US-5064852-A Antidiabetic agents; aldose reductase inhibitors PFIZER INC. (US) 1991-11-12 US disclosed