SCHEMBL8797337

SCHEMBL8797337

Cc1cc2c(c(C)c1Br)C(C(=O)O)c1ccccc1CO2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PTGS2 P35354 1/20 0.36
TBXA2R P21731 6/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
TBXAS1 P24557 1/20 0.33
AKR1B1 P15121 1/20 0.33
MAPK14 Q16539 1/20 0.32

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
SCHEMBL8620574 0.83 TBXA2R (0.40) ALDH1A1MAPTTBXA2RTBXAS1AKR1B1
SCHEMBL8797282 0.83 TP53 (0.44) ALDH1A1MAPTHDAC4HDAC7HDAC5
SCHEMBL8797219 0.81 TP53 (0.41) ALDH1A1TBXA2RHDAC4HDAC7HDAC5
SCHEMBL8797543 0.81 TP53 (0.39) ALDH1A1MAPTHDAC4HDAC7HDAC5
SCHEMBL8797301 0.80 TBXA2R (0.39) ALDH1A1TBXA2RHDAC4HDAC7HDAC5
SCHEMBL8797278 0.80 TP53 (0.41) ALDH1A1MAPT
SCHEMBL8799249 0.78 ALDH1A1 (0.40) ALDH1A1MAPT
SCHEMBL8797263 0.76 HDAC4 (0.35) TBXA2RHDAC4HDAC7HDAC5TBXAS1
SCHEMBL8797512 0.76 ALDH1A1 (0.37) ALDH1A1MAPTTBXA2RHDAC4HDAC7
SCHEMBL8797855 0.75 HDAC4 (0.35) TBXA2RHDAC4HDAC7HDAC5TBXAS1

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-0497201-B1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO KK (JP) 1997-01-15 EP disclosed
US-5478835-A Acyl coenzyme A: acyltransferase inhibitors; treatment of hyperlipemia and arteriosclerosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 US disclosed
US-5340807-A Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-08-23 US disclosed
EP-0497201-A1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-08-05 EP disclosed