SCHEMBL18098100

SCHEMBL18098100

CCC(C)CC(C(N)=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.54
▸ LMNA P02545 3/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CRHBP P24387 2/20 0.44
▸ CRHR2 Q13324 2/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TRPA1 O75762 2/20 0.41
▸ BCAT2 O15382 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL18098108 0.86 CYP2C19 (0.49) LMNAHSD17B10CRHBPCRHR2MEN1
SCHEMBL3036448 0.84 EPHX1 (0.59) EPHX1LMNAHSD17B10TRPM8ALOX5
Fenbutyramide SCHEMBL1477997 0.83 EPHX1 (0.63) EPHX1LMNAHSD17B10CRHBPCRHR2
Fenbutyramide SCHEMBL1478462 0.83 EPHX1 (0.63) EPHX1LMNAHSD17B10CRHBPCRHR2
Fenbutyramide SCHEMBL232920 0.83 EPHX1 (0.63) EPHX1LMNAHSD17B10CRHBPCRHR2
Fenbutyramide SCHEMBL15995561 0.82 EPHX1 (0.61) EPHX1LMNAHSD17B10CRHBPCRHR2
SCHEMBL2183709 0.77 EPHX1 (0.59) EPHX1LMNAHSD17B10TRPM8ALOX5
SCHEMBL22322995 0.77 EPHX1 (0.59) EPHX1LMNABCAT2SMN1; SMN2
SCHEMBL28295013 0.76 ALDH1A1 (0.52) EPHX1LMNAHSD17B10ALDH1A1POLB
SCHEMBL6158397 0.75 GRM2 (0.59) EPHX1BCAT2

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
US-20170170008-A1 PATTERN TREATMENT METHODS DOW GLOBAL TECHNOLOGIES LLC 2017-06-15 — — US disclosed
US-9455177-B1 Contact hole formation methods DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-27 — — US disclosed
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