SCHEMBL9044306

SCHEMBL9044306

COC(=O)c1ccc2c(c1)C(N)c1ccccc1CO2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.45
TBXAS1 P24557 5/20 0.45
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ROCK2 O75116 1/20 0.40

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
Hydrochloric Acid SCHEMBL10921936 0.99 TBXA2R (0.44) TBXA2RTBXAS1ALOX5KDM4EALDH1A1
SCHEMBL7516230 0.87 TBXA2R (0.46) TBXA2RTBXAS1ALOX5KDM4EALDH1A1
SCHEMBL10918266 0.86 TBXA2R (0.46) TBXA2RTBXAS1ALOX5KDM4EALDH1A1
SCHEMBL9377375 0.85 TBXA2R (0.45) TBXA2RTBXAS1ALOX5KDM4EALDH1A1
SCHEMBL10921827 0.84 TBXA2R (0.56) TBXA2RTBXAS1
SCHEMBL8797046 0.84 TBXA2R (0.46) TBXA2RTBXAS1ALOX5
Hydrochloric Acid SCHEMBL10960982 0.83 TBXA2R (0.55) TBXA2RTBXAS1
SCHEMBL10918833 0.83 TBXA2R (0.53) TBXA2RTBXAS1
SCHEMBL8798040 0.83 TBXA2R (0.43) TBXA2RTBXAS1ALOX5KDM4EALDH1A1
SCHEMBL10922645 0.82 TBXAS1 (0.45) TBXA2RTBXAS1ALOX5KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345747-B1 Tricyclic compounds KYOWA HAKKO KOGYO KK (JP) 1996-06-26 EP disclosed
US-5302596-A DIBENZO-CYCLOHEPTENES,-OXEPINS AND-THIEPINS SUBSTITUTED BY A HETEROCYCLO-ALKYL KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-04-12 US disclosed
US-5242931-A Antiischemic agents and cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-07 US disclosed
US-5118701-A Antiischemic agents, anticoagulants KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-06-02 US disclosed
US-4999363-A Inhibit biosynthesis of thromboxane A2 KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-03-12 US disclosed
EP-0345747-A2 Tricyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-13 EP disclosed