SCHEMBL4449153

SCHEMBL4449153

O=C(CO)c1cc(Cl)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.62
FEN1 P39748 2/20 0.62
ALDH1A1 P00352 5/20 0.61
TP53 P04637 2/20 0.61
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TSHR P16473 2/20 0.45
CASP1 P29466 1/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL5253915 0.83 ALDH1A1 (0.71) ERCC5FEN1ALDH1A1LMNAMAPT
SCHEMBL9526213 0.83 ALDH1A1 (0.71) ERCC5FEN1ALDH1A1TP53LMNA
SCHEMBL404490 0.82 ERCC5 (0.61) ERCC5FEN1ALDH1A1TP53LMNA
SCHEMBL29391618 0.82 ERCC5 (0.61) ERCC5FEN1ALDH1A1TP53LMNA
SCHEMBL11613851 0.82 ALDH1A1 (0.61) ERCC5FEN1ALDH1A1TP53LMNA
SCHEMBL16770754 0.82 ERCC5 (0.61) ERCC5FEN1ALDH1A1TP53LMNA
SCHEMBL9635504 0.82 CA1 (0.62) TP53LMNAMAPTMAPK1HPGD
SCHEMBL8341052 0.80 MEN1 (0.44) ERCC5FEN1ALDH1A1TP53LMNA
SCHEMBL1427082 0.80 ERCC5 (0.59) ERCC5FEN1ALDH1A1TP53LMNA
Hydrochloric Acid SCHEMBL22556724 0.80 ALDH1A1 (0.59) ERCC5FEN1ALDH1A1TP53LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62045549-A None JP disclosed
JP-5255172-A None JP disclosed
JP-59065038-A None JP disclosed
WO-2009037542-A2 SPIROCYCLIC COMPOUNDS AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-03-26 WO disclosed
US-6071953-A Sulfonamide-substituted chromans, processes for their preparation, their use as medicament or diagnostic aid, and medicament comprising them HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-06 US disclosed
EP-0860440-A1 Sulfonamido substituted chromane derivatives with potassium channel blocking activity HOECHST AKTIENGESELLSCHAFT (DE) 1998-08-26 EP disclosed
JP-H05255172-A MANUFACTURE OF 3,6-DICHLORO-2-HYDROXYACETOPHENONE SHELL INTERNATL RES MAATSCHAPPIJ BV 1993-10-05 JP disclosed
JP-S6245549-A PRODUCTION OF 3,6-DICHLORO-2-HYDROXYACETOPHENONE SHIONOGI & CO LTD 1987-02-27 JP disclosed
JP-S5965038-A SYNTHESIS OF 3,6-DICHLORO-2-HYDROXYACETOPHENONE SHIONOGI & CO LTD 1984-04-13 JP disclosed