SCHEMBL11670787

SCHEMBL11670787

CCN(c1cccc(OC)c1)C(C)OC(=O)Oc1ccc(C(C)Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 9/20 0.41
▸ MTNR1A P48039 8/20 0.41
▸ MAOB P27338 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ GPR139 Q6DWJ6 1/20 0.38
▸ FFAR1 O14842 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL11670101 0.90 LTB4R (0.39) MAOBALDH1A1MEN1KMT2A
SCHEMBL11671052 0.89 TP53 (0.40) ALDH1A1FFAR1MEN1MAPTKMT2A
SCHEMBL11670843 0.89 MTNR1B (0.50) MTNR1BMTNR1AALDH1A1
SCHEMBL11672039 0.89 S1PR1 (0.40) MAOBALDH1A1FFAR1
SCHEMBL11670431 0.88 MTNR1B (0.44) MTNR1BMTNR1AMAOBALDH1A1
SCHEMBL11670162 0.87 MTNR1B (0.48) MTNR1BMTNR1A
SCHEMBL11672792 0.86 MTNR1B (0.48) MTNR1BMTNR1AALDH1A1FFAR1
SCHEMBL11670499 0.85 MTNR1B (0.43) MTNR1BMTNR1AMEN1MAPTKMT2A
SCHEMBL11670324 0.84 MTNR1B (0.44) MTNR1BMTNR1AALDH1A1POLB
SCHEMBL11669875 0.83 MTNR1B (0.43) MTNR1BMTNR1AALDH1A1

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-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
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