SCHEMBL11670462

SCHEMBL11670462

CCN(c1ccccc1)C(C)OC(=O)Oc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TRPM8 Q7Z2W7 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11671701 0.92 TDP1 (0.42) MTNR1AMTNR1BKDM4EKMT2AALDH1A1
Hydrochloric Acid SCHEMBL11671225 0.91 TDP1 (0.41) MTNR1AMTNR1BKDM4EKMT2AALDH1A1
SCHEMBL11702436 0.90 MAPT (0.44) KDM4EHPGDALDH1A1GAASMN1; SMN2
SCHEMBL11671563 0.90 ALDH1A1 (0.41) TRPM8KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL11670162 0.89 MTNR1B (0.48) MTNR1AMTNR1BTAAR1
SCHEMBL11670843 0.89 MTNR1B (0.50) MTNR1AMTNR1BALDH1A1
SCHEMBL11672092 0.89 LMNA (0.45) MTNR1AMTNR1BALDH1A1
SCHEMBL11671578 0.88 RAB9A (0.46) KDM4EKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL11671034 0.88 LMNA (0.45) KMT2AALDH1A1GAASMN1; SMN2HTT
SCHEMBL11672517 0.88 TRPM8 (0.43) MTNR1AMTNR1BKDM4EHPGDTRPM8

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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