SCHEMBL10060202

SCHEMBL10060202

CCC(c1ccccc1)C1C(=O)OC(=O)[C@H]1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.42
ALDH1A1 P00352 2/20 0.37
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.30
MIF P14174 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GLA P06280 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
SCHEMBL1083705 1.00 CYP2C9 (0.42) CYP2C9ALDH1A1LMNASMN1; SMN2ATM
SCHEMBL10060203 1.00 CYP2C9 (0.42) CYP2C9ALDH1A1LMNASMN1; SMN2ATM
SCHEMBL18133559 0.87 CYP2C9 (0.38) CYP2C9ALDH1A1LMNA
SCHEMBL14407409 0.86 ALDH1A1 (0.32) CYP2C9ALDH1A1LMNASMN1; SMN2ATM
SCHEMBL12866132 0.83 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAPOLBMEN1
SCHEMBL17695636 0.80 CYP2C9 (0.42) CYP2C9ALDH1A1LMNASMN1; SMN2
SCHEMBL18098123 0.80 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAHSD17B10
SCHEMBL13948387 0.78 CYP2C9 (0.36) CYP2C9ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL14495989 0.78 CYP2C9 (0.36) CYP2C9ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL10331497 0.78 CYP2C9 (0.36) CYP2C9ALDH1A1LMNASMN1; SMN2NPSR1

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-1904583-B1 PIGMENT DISPERSIONS WITH POLYMERIC DISPERSANTS HAVING PENDING CHROMOPHORE GROUPS. AGFA GRAPHICS NV (BE) 2012-03-21 EP disclosed