SCHEMBL6957918

SCHEMBL6957918

N#CCCCSCC([O])=O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
CES2 O00748 1/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
CES1 P23141 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6972035 0.94 CES2 (0.35) POLBCES2GMNNTP53MAPT
SCHEMBL6965922 0.86
SCHEMBL6957924 0.83 POLB (0.50) POLBCES2GMNNTP53MAPT
SCHEMBL625145 0.77 POLB (0.53) POLBCES2GMNNTP53MAPT
SCHEMBL7835392 0.75 TSHR (0.45) MAPTTSHRALDH1A1
SCHEMBL6965014 0.72
SCHEMBL2711995 0.72
Bicarbonate SCHEMBL11668335 0.70 TSHR (0.45) MAPTTSHRALDH1A1
Bicarbonate SCHEMBL2169350 0.70 TSHR (0.45) MAPTCYP2C9HSD17B10TSHRALDH1A1
Bicarbonate SCHEMBL9835481 0.70 TSHR (0.45) MAPTCYP2C9HSD17B10TSHRALDH1A1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed