SCHEMBL7932728

SCHEMBL7932728

COCOc1cccc(-c2ccccc2C=CI)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
FABP4 P15090 7/20 0.37
FYN P06241 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FABP3 P05413 3/20 0.35
BACE1 P56817 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
EGFR P00533 1/20 0.34
FABP5 Q01469 3/20 0.34
FABP1 P07148 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7932722 1.00 PTGER1 (0.39) PTGER1PTGER4PTGER3PTGER2FABP4
SCHEMBL7929366 0.85 FYN (0.38) PTGER4FYNBACE1EGFRHDAC8
SCHEMBL7929362 0.85 FYN (0.38) PTGER4FYNBACE1EGFRHDAC8
SCHEMBL7935351 0.83 ERN1 (0.44) FABP4FYNL3MBTL1KDM4EALDH1A1
SCHEMBL7930701 0.75 EGFR (0.43) PTGER1PTGER4PTGER3PTGER2FYN
SCHEMBL8175387 0.74 MAPT (0.40) PTGER1PTGER4PTGER3PTGER2FYN
SCHEMBL9422520 0.74 LTA4H (0.49) PTGER4FYNBACE1EGFR
SCHEMBL7922906 0.73 CNR2 (0.41) PTGER1PTGER4PTGER3PTGER2FYN
SCHEMBL7922907 0.73 CNR2 (0.41) PTGER1PTGER4PTGER3PTGER2FYN
SCHEMBL7931935 0.73 FYN (0.39) FYNBACE1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 EP disclosed
US-6150413-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-11-21 US disclosed
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 EP disclosed