SCHEMBL11570245

SCHEMBL11570245

COC(=O)c1ccccc1NCC(O)COC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ KDM4E B2RXH2 3/20 0.54
▸ GLA P06280 1/20 0.54
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ ADRB2 P07550 7/20 0.46
▸ ADRB1 P08588 7/20 0.46
▸ ADRB3 P13945 7/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL11574115 0.87 KDM4E (0.57) ALDH1A1HSD17B10KDM4EGLAKMT2A
SCHEMBL10954896 0.83 KDM4E (0.59) ALDH1A1HSD17B10KDM4EGLAKMT2A
SCHEMBL11572282 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EGLAADRB2
SCHEMBL11572952 0.81 KDM4E (0.51) ALDH1A1HSD17B10KDM4EGLAKMT2A
SCHEMBL7628551 0.78 KDM4E (0.64) ALDH1A1HSD17B10KDM4EGLAKMT2A
SCHEMBL11573064 0.78 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EGLAKMT2A
SCHEMBL11572479 0.77 KDM4E (0.56) ALDH1A1HSD17B10KDM4EGLAKMT2A
SCHEMBL11573154 0.77 KDM4E (0.52) ALDH1A1HSD17B10KDM4EGLAKMT2A
SCHEMBL6513522 0.77 KDM4E (0.68) ALDH1A1HSD17B10KDM4EGLAKMT2A
SCHEMBL11570152 0.76 KDM4E (0.57) ALDH1A1HSD17B10KDM4EGLAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4152114-A POLYESTERS CIBA-GEIGY AG (CH) 1979-05-01 — — US disclosed
US-4099909-A POLYESTERS CIBA-GEIGY AG (CH) 1978-07-11 — — US disclosed
US-3963431-A POLYESTER CIBA-GEIGY AG (CH) 1976-06-15 — — US disclosed
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