SCHEMBL6553933

SCHEMBL6553933

COC(=O)CC1COc2ccc(N)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.51
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
MALT1 Q9UDY8 1/20 0.43
ALOX5 P09917 1/20 0.42
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6554163 1.00 MTNR1A (0.51) MTNR1AITGB3ITGA2BMALT1ALOX5
SCHEMBL6554279 1.00 MTNR1A (0.51) MTNR1AITGB3ITGA2BMALT1ALOX5
Hydrochloric Acid SCHEMBL6555750 0.99 MTNR1A (0.50) MTNR1AITGB3ITGA2BMALT1ALOX5
SCHEMBL6553963 0.88 MTNR1A (0.44) MTNR1AITGB3ITGA2BMALT1ALOX5
SCHEMBL6554181 0.88 MTNR1A (0.44) MTNR1AITGB3ITGA2BMALT1ALOX5
SCHEMBL6555465 0.88 MTNR1A (0.44) MTNR1AITGB3ITGA2BMALT1ALOX5
Hydrochloric Acid SCHEMBL6555480 0.86 MTNR1A (0.43) MTNR1AITGB3ITGA2BMALT1ALOX5
SCHEMBL6554194 0.84 ITGB3 (0.57) MTNR1AITGB3ITGA2BMALT1ALOX5
SCHEMBL6554201 0.84 ITGB3 (0.57) MTNR1AITGB3ITGA2BMALT1ALOX5
SCHEMBL9692869 0.81 MALT1 (0.57) MTNR1AMALT1TP53

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 7 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
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
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed