SCHEMBL7929023

SCHEMBL7929023

COc1ccc(C[C@@H](C)NCc2ccccc2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.63
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
GAA P10253 1/20 0.59
ATM Q13315 1/20 0.59
KDM1A O60341 1/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LDHA P00338 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48

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
SCHEMBL7929020 1.00 SIGMAR1 (0.63) SIGMAR1KMT2AMEN1GAAATM
SCHEMBL6095764 0.94 KMT2A (0.63) SIGMAR1KMT2AMEN1GAAATM
SCHEMBL6095767 0.94 KMT2A (0.63) SIGMAR1KMT2AMEN1GAAATM
SCHEMBL9119354 0.91 KMT2A (0.70) SIGMAR1KMT2AMEN1GAAATM
SCHEMBL9119369 0.91 KMT2A (0.70) SIGMAR1KMT2AMEN1GAAATM
SCHEMBL8867439 0.86 SIGMAR1 (0.70) SIGMAR1KDM1A
SCHEMBL11814547 0.86 GAA (0.79) KMT2AMEN1GAAATMLMNA
SCHEMBL11820743 0.85 SIGMAR1 (0.63) SIGMAR1KMT2AMEN1GAAATM
Hydrochloric Acid SCHEMBL8868043 0.85 SIGMAR1 (0.72) SIGMAR1KDM1A
SCHEMBL7318927 0.84 SMN1; SMN2 (0.55) SIGMAR1KMT2AMEN1GAAATM

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
US-6248573-B1 SULFONYLATING OR HALOGENATING A (S)-1-PHENYL-2-PROPANOL DERIVATIVE TO PRODUCE (S)-1-PHENYL-2-SUBSTITUTED PROPANE DERIVATIVE; CHEMICAL INTERMEDIATE FOR SYNTHESIS OF ANTIOBESITY DRUG DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
US-5902900-A OPTICAL PURITY, USE AS ANTI-OBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-11 US disclosed
US-5679557-A Process of asymmetrically reducing 1-phenyl-2-oxo-propane derivatives with microorganisms DAICEL CHEMICAL INDUSTRIES, LIMITED (JP) 1997-10-21 US disclosed
EP-0627397-B1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEM (JP) 1997-01-02 EP disclosed
US-5508461-A ANTIOBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-16 US disclosed
EP-0627397-A1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed