SCHEMBL9972709

SCHEMBL9972709

Cc1cc(CC(C)C(=O)O)c(Cl)c(C)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR1 P21453 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
LMNA P02545 1/20 0.33
HMGB1 P09429 1/20 0.33
CXCL12 P48061 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PRSS1 P07477 1/20 0.32
TMPRSS15 P98073 1/20 0.32
ELANE P08246 1/20 0.32
STING1 Q86WV6 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL9972717 0.79 POLB (0.35) APAF1POLBKDM4EMAPTRECQL
SCHEMBL31681664 0.73 POLB (0.47) APAF1POLBKDM4EMAPTRECQL
SCHEMBL14032612 0.73 MRE11 (0.40) L3MBTL1AKR1C2HMGB1CXCL12STING1
SCHEMBL9972708 0.73 HMGB1 (0.46) APAF1POLBLMNAHMGB1CXCL12
SCHEMBL2345172 0.71 KDM4E (0.44) APAF1POLBKDM4EMAPTRECQL
SCHEMBL6468973 0.71 TSHR (0.50) APAF1POLBKDM4EMAPTRECQL
SCHEMBL6468980 0.71 TSHR (0.50) APAF1POLBKDM4EMAPTRECQL
SCHEMBL26379080 0.69 ESR2 (0.49) APAF1POLBKDM4EMAPTRECQL
SCHEMBL6609098 0.68 APAF1 (0.48) APAF1POLBKDM4EMAPTRECQL
SCHEMBL20272550 0.68 CYP1A2 (0.42) APAF1POLBKDM4EMAPTRECQL

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-20120156608-A1 TONER FOR ELECTROSTATIC IMAGE DEVELOPMENT KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-06-21 US disclosed