SCHEMBL7737674

SCHEMBL7737674

OCCc1coc2c(O)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.35
MAOB P27338 1/20 0.35
PTGIR P43119 7/20 0.34
TBXA2R P21731 4/20 0.34
MAOA P21397 4/20 0.34
EGFR P00533 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
ATP1A3 P13637 1/20 0.33
ATP1B2 P14415 1/20 0.33
ATP1A2 P50993 1/20 0.33
ATP1B3 P54709 1/20 0.33
FXYD2 P54710 1/20 0.33
ATP1A4 Q13733 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
SCHEMBL7962816 0.90 PTGIR (0.37) MAPTTSHRKDM4ELMNATP53
SCHEMBL4130976 0.77 PSMB8 (0.46) KDM4ELMNAPTGIRTBXA2RMAOA
SCHEMBL5476476 0.76 KMT2A (0.45) MAPTTSHRKDM4ELMNAMAOB
SCHEMBL7949002 0.76 SMN1; SMN2 (0.56) MAPTKDM4EPTGIRTBXA2RTHRB
SCHEMBL7960429 0.75 DAO (0.40) MAPTTSHRKDM4ELMNATP53
SCHEMBL11301037 0.74 PTGIR (0.47) MAPTTP53PTGIRTBXA2RTHRB
SCHEMBL7958811 0.73 MEN1 (0.41) TSHRKDM4ELMNATP53PTGIR
SCHEMBL7958900 0.72 PTGIR (0.46) MAPTTSHRKDM4ELMNAPTGIR
SCHEMBL735027 0.72 MAOB (0.59) MAOB
SCHEMBL7960566 0.71 PTGIR (0.66) KDM4EPTGIRTBXA2RHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 EP disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed