SCHEMBL9750434

SCHEMBL9750434

O=C(OC(=O)C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 11/20 0.65
CES1 P23141 10/20 0.65
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
F2 P00734 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
PARP1 P09874 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL27789977 0.90 CES2 (0.59) CES2CES1TSHRALDH1A1DAO
SCHEMBL1446883 0.88 CES2 (0.56) CES2CES1TSHRALDH1A1DAO
SCHEMBL7630557 0.86 CES2 (0.54) CES2CES1TSHRALDH1A1F2
SCHEMBL1450205 0.86 CES2 (0.54) CES2CES1TSHRALDH1A1F2
SCHEMBL7636289 0.86 CES2 (0.54) CES2CES1TSHRALDH1A1F2
SCHEMBL1446904 0.86 CES2 (0.54) CES2CES1TSHRALDH1A1F2
SCHEMBL7949571 0.86 CES2 (0.54) CES2CES1TSHRALDH1A1F2
SCHEMBL16694149 0.86 CES2 (0.54) CES2CES1TSHRALDH1A1F2
SCHEMBL9359761 0.86 CES2 (0.54) CES2CES1TSHRALDH1A1F2
SCHEMBL6847386 0.86 CES2 (0.54) CES2CES1TSHRALDH1A1F2

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
US-5091171-A Skin disorders IGI, INC. 1992-02-25 US disclosed