SCHEMBL11671349

SCHEMBL11671349

CCC(CN(CC)c1cccc(OC)c1)OC(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 10/20 0.46
▸ MTNR1B P49286 10/20 0.46
▸ CETP P11597 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GPR88 Q9GZN0 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
SCHEMBL11672528 0.90 CNR1 (0.41) MTNR1AMTNR1BKMT2ALMNAHTT
SCHEMBL11670540 0.89 TDP1 (0.40) KMT2ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL11670194 0.89 KMT2A (0.39) KMT2ALMNAMAPTHTTALDH1A1
SCHEMBL11671695 0.88 KMT2A (0.43) KMT2AMAPTALDH1A1
SCHEMBL11671514 0.84 MAPT (0.43) KMT2ALMNAMAPTHTTSMN1; SMN2
SCHEMBL11670393 0.83 KMT2A (0.43) KMT2AMAPTHTTSMN1; SMN2
SCHEMBL11671481 0.82 MAPT (0.41) KMT2AMAPTSMN1; SMN2ALDH1A1GPR88
SCHEMBL11671807 0.82 MAPT (0.40) KMT2ALMNAMAPTHTTSMN1; SMN2
SCHEMBL11671783 0.81 KMT2A (0.43) KMT2ALMNAMAPTHTTSMN1; SMN2
SCHEMBL11671437 0.81 RAB9A (0.46) KMT2ASMN1; SMN2ALDH1A1GPR88

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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