SCHEMBL9046208

SCHEMBL9046208

COC(=O)c1ccc2c(c1)C(OC)c1ccccc1CS2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ KMT2A Q03164 6/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GAA P10253 3/20 0.45
▸ TBXA2R P21731 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 6/20 0.41
▸ HTT P42858 1/20 0.41
▸ TRPA1 O75762 3/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10526592 0.89 TBXA2R (0.52) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL9375392 0.80 TBXA2R (0.56) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL9046179 0.78 MAPT (0.50) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL9377375 0.78 TBXA2R (0.45) ALDH1A1GAATBXA2RKDM4ECASP1
SCHEMBL10594619 0.75 TBXA2R (0.49) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL8126444 0.75 KDM4E (0.44) ALDH1A1KMT2AMEN1GAATBXA2R
SCHEMBL9045008 0.74 DRD2 (0.43) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL9371496 0.74 TBXA2R (0.83) ALDH1A1TBXA2R
SCHEMBL26116182 0.72 PDK2 (0.47) ALDH1A1GAAKDM4ECASP1CASP7
SCHEMBL2007673 0.71 AKR1B1 (0.57) ALDH1A1LMNAPOLBSMN1; SMN2KDM4E

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 10 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
EP-0312051-B1 Tricyclic compounds KYOWA HAKKO KOGYO KK (JP) 1994-08-17 — — 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-5010087-A Cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-04-23 — — US disclosed
US-5010104-A Antiischemic agent, cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-04-23 — — 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
EP-0312051-A2 Tricyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-04-19 — — EP disclosed
Send feedback