SCHEMBL7858623

SCHEMBL7858623

CONC(Cc1ccc(C)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PSMB5 P28074 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
HCRTR2 O43614 1/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NCOA1 Q15788 1/20 0.40

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
SCHEMBL11099393 0.81 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL11413367 0.79 SMN1; SMN2 (0.47) SMN1; SMN2PKMCYP1A2CYP2D6CYP2C9
SCHEMBL5269597 0.77 SMN1; SMN2 (0.61) SMN1; SMN2PKMCYP1A2CYP2D6CYP2C9
SCHEMBL13676380 0.77 SMN1; SMN2 (0.45) SMN1; SMN2PKMCYP1A2CYP2D6CYP2C9
SCHEMBL5272038 0.77 SMN1; SMN2 (0.61) SMN1; SMN2PKMCYP1A2CYP2D6CYP2C9
SCHEMBL11068303 0.75 SOAT1 (0.54) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL14380840 0.74 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL10489055 0.74 SLC6A2 (0.55) SMN1; SMN2PKMMEN1KMT2APSMB5
SCHEMBL7568101 0.73 SMN1; SMN2 (0.46) SMN1; SMN2PKMCYP1A2CYP2D6CYP2C9
SCHEMBL5271644 0.73 SMN1; SMN2 (0.56) SMN1; SMN2PKMCYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736509-B1 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL CO (JP) 2001-11-14 EP disclosed
US-6025531-A REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-15 US disclosed
US-5801280-A Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-01 US disclosed
EP-0736509-A2 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-09 EP disclosed