SCHEMBL27310554

SCHEMBL27310554

CC=C(C)C(=O)Oc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
LMNA P02545 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP19A1 P11511 1/20 0.39
NPC1 O15118 2/20 0.36
CYP2D6 P10635 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL16504635 0.86 LMNA (0.46) HSD17B10LMNASMN1; SMN2KDM4EMAPT
SCHEMBL7781973 0.82 HSD17B10 (0.50) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL20412354 0.81 HSD17B10 (0.54) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL4324963 0.80 ELANE (0.47) HSD17B10CYP1A2KDM4EMAPTKMT2A
SCHEMBL165007 0.80 ELANE (0.47) HSD17B10CYP1A2KDM4EMAPTKMT2A
SCHEMBL809326 0.80 ELANE (0.47) HSD17B10CYP1A2KDM4EMAPTKMT2A
SCHEMBL7268906 0.78 ELANE (0.54) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL3120830 0.78 GSK3B (0.48) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL28914529 0.78 GSK3B (0.48) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7457988 0.78 ELANE (0.44) LMNAKDM4EMAPTKMT2AMEN1

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
CN-1027504-C Process for the preparation of imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1995-01-25 CN disclosed