SCHEMBL6553963

SCHEMBL6553963

CCOC(=O)CC1COc2ccc(N)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.44
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
ALOX5 P09917 1/20 0.40
MALT1 Q9UDY8 1/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 2/20 0.36
MIF P14174 1/20 0.36
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL6555465 1.00 MTNR1A (0.44) MTNR1AITGB3ITGA2BALOX5MALT1
SCHEMBL6554181 1.00 MTNR1A (0.44) MTNR1AITGB3ITGA2BALOX5MALT1
Hydrochloric Acid SCHEMBL6555480 0.99 MTNR1A (0.43) MTNR1AITGB3ITGA2BALOX5MALT1
SCHEMBL7312154 0.90 LTB4R (0.40) MTNR1AITGB3ITGA2BMALT1MAPT
SCHEMBL6554163 0.88 MTNR1A (0.51) MTNR1AITGB3ITGA2BALOX5MALT1
SCHEMBL6554279 0.88 MTNR1A (0.51) MTNR1AITGB3ITGA2BALOX5MALT1
SCHEMBL6553933 0.88 MTNR1A (0.51) MTNR1AITGB3ITGA2BALOX5MALT1
SCHEMBL7302536 0.86 MTNR1A (0.45) MTNR1AITGB3ITGA2BALOX5MALT1
Hydrochloric Acid SCHEMBL6555750 0.86 MTNR1A (0.50) MTNR1AITGB3ITGA2BALOX5MALT1
SCHEMBL7297144 0.84 MTNR1A (0.63) MTNR1AALOX5TP53MAPTLMNA

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-0892044-B1 Esterase and its use for the production of optically active chroman compounds MITSUI CHEMICALS INC (JP) 2004-12-29 EP disclosed
US-6303349-B1 CONTACTING CHROMAN-3-ACETIC ACID ESTER WITH ESTER HYDROLASE TO HYDROLYZE TO CHROMAN-3-ACETIC ACID MITSUI CHEMICALS, INC. (JP) 2001-10-16 US disclosed
EP-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
US-6060290-A DERIVED FROM BACTERIA OF GENUS PSEUDONOCARDIA MITSUI CHEMICALS INCORPORATED (JP) 2000-05-09 US disclosed
EP-0892044-A2 Esterase and its use for the production of optically active chroman compounds Mitsui Chemicals, Inc. (JP) 1999-01-20 EP disclosed
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5719145-A FIBRINOGEN ANTAGONIST FOR TREATMENT OF THROMBOSIS, RESTENOSIS AFTER ANGIOPLASTY OR CORONARY RECANALIZATION; WATER SOLUBILITY, ORAL ADMINISTRATION MITSUI TOATSU CHEMICALS, INC. (JP) 1998-02-17 US disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed