SCHEMBL10885694

SCHEMBL10885694

CCCc1c(C(N)=O)c(Oc2ccc(CC(=O)O)cc2)cc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
SRD5A2 P31213 2/20 0.41
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
AKR1B1 P15121 1/20 0.39
NCEH1 Q6PIU2 1/20 0.38
NR3C1 P04150 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PTGS1 P23219 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
F2 P00734 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PLA2G10 O15496 1/20 0.36

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
SCHEMBL10885684 0.81 ESR1 (0.44) PPARGSRD5A2AKR1B1NR3C1ALDH1A1
SCHEMBL10885689 0.74 CTNNB1 (0.38) PPARGSRD5A2ALDH1A1HPGDHSD17B10
SCHEMBL6241535 0.71 CARM1 (0.56) SRD5A2AKR1B1NR3C1CARM1PRMT6
SCHEMBL10603325 0.71 NCEH1 (0.42) PPARGPPARANCEH1PLA2G1B
SCHEMBL3316494 0.68 KDM4E (0.41) PPARGNCEH1ALDH1A1HPGDHSD17B10
SCHEMBL6235731 0.67 SRD5A2 (0.64) PPARGSRD5A2PPARAAKR1B1NR3C1
SCHEMBL1145770 0.66 SRD5A2 (0.83) SRD5A2AKR1B1NR3C1PTGS1
SCHEMBL8641931 0.66 SRD5A2 (0.58) SRD5A2AKR1B1NR3C1ALDH1A1HPGD
SCHEMBL2172254 0.65 AKR1B1 (0.43) SRD5A2AKR1B1PTGS1AKR1C3AKR1C2
SCHEMBL6237474 0.65 SRD5A2 (0.50) SRD5A2AKR1B1NR3C1ALDH1A1HPGD

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-0032286-B1 METHOD FOR ANALYSIS FOR A MEMBER OF AN IMMUNOLOGICAL PAIR USING A TEST SURFACE; KIT AND TEST SURFACE MATERIAL THEREFOR SYVA COMPANY (US) 1986-01-08 EP disclosed