SCHEMBL7940491

SCHEMBL7940491

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.59
CA2 P00918 1/20 0.59
ALOX15 P16050 2/20 0.58
ALOX12 P18054 2/20 0.58
CYP19A1 P11511 1/20 0.53
ATM Q13315 2/20 0.52
KDM4E B2RXH2 1/20 0.52
FOS P01100 1/20 0.51
TTR P02766 1/20 0.51
JUN P05412 1/20 0.51
NR3C1 P04150 1/20 0.51
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
POLB P06746 2/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL3469321 1.00 LDHA (0.59) LDHACA2ALOX15ALOX12CYP19A1
SCHEMBL7929029 1.00 LDHA (0.59) LDHACA2ALOX15ALOX12CYP19A1
SCHEMBL29944173 0.85 LDHA (0.64) LDHACA2ALOX15ALOX12ATM
SCHEMBL29209157 0.85 LDHA (0.64) LDHACA2ALOX15ALOX12ATM
Terameprocol SCHEMBL30094578 0.84 ALOX15 (0.77) LDHACA2ALOX15ALOX12CYP19A1
Terameprocol SCHEMBL10060164 0.84 ALOX15 (0.77) LDHACA2ALOX15ALOX12CYP19A1
Terameprocol SCHEMBL29794162 0.84 ALOX15 (0.77) LDHACA2ALOX15ALOX12CYP19A1
Terameprocol SCHEMBL2356280 0.84 ALOX15 (0.77) LDHACA2ALOX15ALOX12CYP19A1
Terameprocol SCHEMBL194588 0.84 ALOX15 (0.77) LDHACA2ALOX15ALOX12CYP19A1
SCHEMBL806723 0.84 CA2 (0.63) LDHACA2ALOX15ALOX12CYP19A1

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