SCHEMBL29660243

SCHEMBL29660243

CCOC(=O)c1nc(-c2ccc(OC)cc2)sc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.60
CDC7 O00311 2/20 0.57
DBF4 Q9UBU7 2/20 0.57
TRPM8 Q7Z2W7 2/20 0.57
PTGDR2 Q9Y5Y4 2/20 0.53
RARA P10276 1/20 0.53
RARB P10826 1/20 0.53
RARG P13631 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
DHODH Q02127 1/20 0.53
TARBP2 Q15633 2/20 0.52
PDCD4 Q53EL6 1/20 0.52
GRM6 O15303 1/20 0.52
PTPN11 Q06124 1/20 0.52
DDX3X O00571 1/20 0.52
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL20785682 0.91 TRPM8 (0.63) ALOX5CDC7DBF4TRPM8RARA
SCHEMBL28295534 0.84 PTPN11 (0.63) CDC7DBF4TRPM8TARBP2PDCD4
SCHEMBL22256926 0.84 TARBP2 (0.57) GABRA2GABRB2DHODHTARBP2PDCD4
SCHEMBL10552788 0.84 TARBP2 (0.57) CDC7DBF4TRPM8RARARARB
SCHEMBL16039074 0.82 CDC7 (0.76) CDC7DBF4TRPM8PTGDR2RARA
SCHEMBL5731955 0.82 TRPM8 (0.50) ALOX5CDC7DBF4TRPM8RARA
SCHEMBL5194957 0.81 GRM6 (0.58) CDC7DBF4TRPM8TARBP2PDCD4
SCHEMBL27761471 0.80 CDC7 (0.69) CDC7DBF4TRPM8RARARARB
SCHEMBL5909564 0.80 PTGS2 (0.59) CDC7DBF4PTGDR2RARARARB
SCHEMBL3317668 0.79 ALDH1A1 (0.53) ALOX5CDC7DBF4TRPM8RARA

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-4003955-A1 INHIBITORS OF HUMAN ATGL Karl-Franzens-Universität Graz (AT) 2022-06-01 EP claimed