SCHEMBL19789519

SCHEMBL19789519

C=C(C)C(=O)Oc1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.57
PARP15 Q460N3 6/20 0.57
PARP2 Q9UGN5 2/20 0.51
FFAR1 O14842 1/20 0.49
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
ELANE P08246 1/20 0.46
ADAM17 P78536 1/20 0.44
HPGD P15428 2/20 0.43
MMP3 P08254 1/20 0.43
GRM2 Q14416 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42

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
SCHEMBL14907470 0.85 PARP15 (0.47) PARP10PARP15PARP2FFAR1KMT2A
SCHEMBL9998782 0.81 KMT2A (0.44) PARP10PARP15KMT2AATMELANE
SCHEMBL6958286 0.79 PARP10 (0.72) PARP10PARP15PARP2FFAR1KMT2A
SCHEMBL24709164 0.78 ALDH1A1 (0.55) KMT2AATMELANEHPGD
SCHEMBL1089780 0.78 KMT2A (0.49) KMT2AATMELANE
SCHEMBL4117982 0.77 PARP10 (0.71) PARP10PARP15PARP2FFAR1KMT2A
SCHEMBL9998674 0.76 KMT2A (0.45) PARP10PARP15PARP2KMT2AATM
SCHEMBL56436 0.76 ELANE (0.69) KMT2AATMELANEHPGD
SCHEMBL4403982 0.75 ALDH1A1 (0.51) KMT2AATMELANEHPGD
SCHEMBL7603742 0.75 ALDH1A1 (0.51) KMT2AATMELANEHPGD

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-2771735-B1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed