SCHEMBL11574037

SCHEMBL11574037

COC(=O)c1ccccc1NCC(COc1ccccc1)OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ TSHR P16473 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ KDM4E B2RXH2 5/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ MAPT P10636 5/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MTNR1A P48039 3/20 0.42
▸ MTNR1B P49286 3/20 0.42

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
SCHEMBL11571969 0.88 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10MAPK10KDM4E
SCHEMBL11571078 0.88 POLB (0.44) ALDH1A1TSHRHSD17B10MAPK10KDM4E
SCHEMBL11572479 0.88 KDM4E (0.56) ALDH1A1TSHRHSD17B10MAPK10KDM4E
SCHEMBL11572662 0.84 KDM4E (0.49) ALDH1A1TSHRHSD17B10MAPK10KDM4E
SCHEMBL11568718 0.83 NPC1 (0.48) MAPTPOLBNPC1RAB9AMTNR1A
SCHEMBL11572282 0.83 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10MAPK10KDM4E
SCHEMBL11573154 0.83 KDM4E (0.52) ALDH1A1TSHRHSD17B10MAPK10KDM4E
SCHEMBL11571260 0.83 KDM4E (0.52) ALDH1A1TSHRHSD17B10MAPK10KDM4E
SCHEMBL11570124 0.79 KDM4E (0.46) ALDH1A1TSHRHSD17B10KDM4ELMNA
SCHEMBL11574421 0.77 TDP1 (0.51) ALDH1A1KDM4ELMNAHPGDMAPT

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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