SCHEMBL1015554

SCHEMBL1015554

Cc1cc(C(=O)O)c(Cl)cc1SCC(O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PTPRG P23470 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ADRB3 P13945 2/20 0.36
SMO Q99835 1/20 0.36
ATM Q13315 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL1018396 0.82 ATM (0.39) KDM4EPTPRGCA12CA1CA2
SCHEMBL1253721 0.78 KDM4E (0.39) KDM4ETAAR1PTPRGRAB9AMAPT
SCHEMBL1020850 0.78 KDM4E (0.39) KDM4ETAAR1PTPRGRAB9AMAPT
SCHEMBL1020851 0.78 KDM4E (0.39) KDM4ETAAR1PTPRGRAB9AMAPT
SCHEMBL1016641 0.77 TSHR (0.42) KDM4ETAAR1PTPRGRAB9AMAPT
SCHEMBL1016642 0.77 TSHR (0.42) KDM4ETAAR1PTPRGRAB9AMAPT
SCHEMBL1018604 0.77 TSHR (0.42) KDM4ETAAR1PTPRGRAB9AMAPT
SCHEMBL1015646 0.75 AR (0.47) KDM4ERAB9AADRB3ALDH1A1ADRB1
SCHEMBL1020622 0.70 CASR (0.42) KDM4ERAB9AMAPTSMOLMNA
SCHEMBL1020621 0.70 CASR (0.42) KDM4ERAB9AMAPTSMOLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271642-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2011-01-12 EP disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 WO disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 EP disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 WO disclosed