SCHEMBL6901528

SCHEMBL6901528

Nc1c(CC(=O)O)cccc1Cc1ccc(Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.65
LMNA P02545 1/20 0.65
PTGS1 P23219 1/20 0.65
ADORA1 P30542 1/20 0.65
PTGS2 P35354 1/20 0.65
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AKR1B1 P15121 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
SRD5A2 P31213 1/20 0.40
PPARD Q03181 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LNPEP Q9UIQ6 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL7583347 0.81 AKR1B1 (0.58) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL14861906 0.79 ABCB11 (1.00) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL34411 0.79 ABCB11 (1.00) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL22654317 0.79 ABCB11 (0.54) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL4540934 0.78 PTGS2 (0.61) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL57090 0.78 ABCB11 (0.97) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL28429415 0.78 ABCB11 (0.97) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL28895435 0.78 ABCB11 (0.97) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL57092 0.78 ABCB11 (0.97) ABCB11LMNAPTGS1ADORA1PTGS2
Bromfenac SCHEMBL28429368 0.78 ABCB11 (0.97) ABCB11LMNAPTGS1ADORA1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429807-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA Pharma AG (DE) 2004-06-23 EP claimed
WO-2003024489-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA PHARMA AG (DE) 2003-03-27 WO claimed
WO-2016069952-A1 ANTI-ACNE COMPOSITION AND METHODS OF USE RAYUDU SREEDHAR RAO (US) 2016-05-06 WO disclosed
US-4683242-A Transdermal treatment for pain and inflammation with 2-amino-3-aroylbenzeneacetic acids, salts and esters A. H. ROBINS COMPANY, INCORPORATED (US) 1987-07-28 US disclosed