SCHEMBL11660403

SCHEMBL11660403

CC(=O)C(Nc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.50
MMP14 P50281 1/20 0.50
CA14 Q9ULX7 1/20 0.50
EPHX1 P07099 2/20 0.49
EPHX2 P34913 2/20 0.49
CYP3A4 P08684 1/20 0.46
APEX1 P27695 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL11060963 0.82 ATAD2 (0.41) MMP8MMP14CA14RAB9ACA2
SCHEMBL11070782 0.81 MEN1 (0.46) MMP8MMP14CA14EPHX1NPC1
SCHEMBL1555336 0.79 MMP8 (0.53) MMP8MMP14CA14EPHX1EPHX2
SCHEMBL733499 0.79 MMP8 (0.53) MMP8MMP14CA14EPHX1EPHX2
SCHEMBL736304 0.79 MMP8 (0.53) MMP8MMP14CA14EPHX1EPHX2
SCHEMBL11069740 0.79 RAB9A (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL11196619 0.77 MMP8 (0.50) MMP8MMP14CA14EPHX1EPHX2
SCHEMBL11196634 0.77 MMP8 (0.50) MMP8MMP14CA14EPHX1EPHX2
SCHEMBL11059295 0.75 EPHX1 (0.48) EPHX1MEN1KMT2AKDM4EMAPT
SCHEMBL734621 0.75 CYP3A4 (0.53) MMP8MMP14CA14EPHX1EPHX2

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-4087535-A ANALGESICS, ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT (DT) 1978-05-02 US disclosed
US-4061767-A ANTIINFLAMMATORY, ANALGESIC HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-06 US disclosed