SCHEMBL11256359

SCHEMBL11256359

CC(C)(C)C(=O)C1OC1c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.40
EPHX1 P07099 4/20 0.40
RIPK1 Q13546 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
TP53 P04637 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HBB P68871 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 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
SCHEMBL7764709 0.84 EPHX1 (0.56) EPHX1RIPK1MEN1KMT2ACYP1A2
SCHEMBL7764706 0.84 EPHX1 (0.56) EPHX1RIPK1MEN1KMT2ACYP1A2
SCHEMBL7775691 0.83 EPHX1 (0.57) EPHX1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL7775690 0.83 EPHX1 (0.57) EPHX1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL6070434 0.78 EPHX1 (0.48) FTOEPHX1MEN1KMT2ACYP1A2
SCHEMBL6069547 0.78 EPHX1 (0.48) FTOEPHX1MEN1KMT2ACYP1A2
SCHEMBL9264620 0.78 EPHX1 (0.48) FTOEPHX1MEN1KMT2ACYP1A2
SCHEMBL6070420 0.78 EPHX1 (0.48) FTOEPHX1MEN1KMT2ACYP1A2
SCHEMBL6919663 0.78 EPHX1 (0.48) FTOEPHX1MEN1KMT2ACYP1A2
SCHEMBL28633045 0.77 EPHX1 (0.47) FTOEPHX1MEN1KMT2ACYP1A2

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-0062772-A2 Regioselective preparation of triazolylvinyl ketones and the intermediates therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-10-20 EP disclosed