SCHEMBL10693569

SCHEMBL10693569

CON(C(=O)OC(c1ccccc1)c1ccccc1)c1ccc(OC(C)=O)c(OC(C)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
TOP1 P11387 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HMGB1 P09429 1/20 0.35
HPGD P15428 1/20 0.35
GGT1 P19440 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
BLM P54132 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CFD P00746 2/20 0.35

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
SCHEMBL9866552 0.71 TSHR (0.43) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL9866994 0.69 ALDH1A1 (0.41) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL9868777 0.69 ALDH1A1 (0.41) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL9867546 0.69 ALDH1A1 (0.41) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL10693575 0.67 ALDH1A1 (0.42) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL9867123 0.67 ALDH1A1 (0.39) TSHRALDH1A1KDM4ERAB9AGAA
SCHEMBL1202828 0.67 ALDH1A1 (0.58) TSHRALDH1A1KDM4EESR1HPGD
SCHEMBL28055932 0.65 CHRNB2 (0.49) ALDH1A1KDM4ERAB9AL3MBTL1ESR1
SCHEMBL9868767 0.64 KDM4E (0.43) TSHRALDH1A1KDM4ERAB9AGAA
Hydrazine SCHEMBL18138498 0.64 ALDH1A1 (0.55) TSHRALDH1A1KDM4EESR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266060-A2 Cephalosporins, process for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1988-05-04 EP disclosed