SCHEMBL17424940

SCHEMBL17424940

COC(=O)c1cccc(O)c1CC#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
LMNA P02545 2/20 0.54
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA9 Q16790 4/20 0.49
CA12 O43570 3/20 0.49
CA7 P43166 3/20 0.49
CA14 Q9ULX7 3/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
CFTR P13569 1/20 0.41
KMT2A Q03164 3/20 0.41
CA5A P35218 1/20 0.41
TOP2A P11388 1/20 0.40
PTPRC P08575 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL1033944 0.83 KDM4E (0.47) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL667702 0.83 ALDH1A1 (0.47) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL6420919 0.83 ALDH1A1 (0.47) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL17424942 0.80 ALDH1A1 (0.48) TSHRLMNACA1CA2CA9
SCHEMBL2655486 0.80 LMNA (0.61) TSHRLMNACA1CA2CA9
SCHEMBL17424944 0.79 LMNA (0.59) TSHRLMNACA1CA2CA9
SCHEMBL18396554 0.79 ALDH1A1 (0.54) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL15110844 0.78 LMNA (0.58) TSHRLMNACA1CA2CA9
SCHEMBL13851543 0.76 LMNA (0.56) TSHRLMNACA1CA2CA9
SCHEMBL2427784 0.76 ALDH1A1 (0.57) TSHRLMNAKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463269-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-28 EP disclosed
EP-2460786-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-01-13 EP disclosed