SCHEMBL7991731

SCHEMBL7991731

CC(O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
TSHR P16473 2/20 0.48
CHRM2 P08172 1/20 0.48
ADRA1A P35348 1/20 0.48
RGS12 O14924 1/20 0.48
GLA P06280 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
ALOX12 P18054 1/20 0.48
NFKB1 P19838 1/20 0.48
HTR2A P28223 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
GNAI1 P63096 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47

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
SCHEMBL8074825 0.81 SIGMAR1 (0.53) ADRA2CCYP3A4ALOX15TSHRCHRM2
SCHEMBL10581703 0.81 SIGMAR1 (0.53) ADRA2CCYP3A4ALOX15TSHRCHRM2
SCHEMBL23532689 0.81 ADRA2C (0.48) ADRA2CCYP3A4ALOX15TSHRCHRM2
SCHEMBL5499561 0.81 SIGMAR1 (0.53) ADRA2CCYP3A4ALOX15TSHRCHRM2
SCHEMBL9843925 0.80 MTOR (0.48) ADRA2CCYP3A4ALOX15TSHRCHRM2
SCHEMBL3281034 0.79 MTOR (0.57) CYP3A4ALOX15TSHRCYP2D6HTR2A
SCHEMBL14660736 0.79 TSHR (0.42) ADRA2CCYP3A4ALOX15TSHRCHRM2
SCHEMBL21836227 0.78 SIGMAR1 (0.55) CYP3A4ALOX15TSHRCHRM2ADRA1A
SCHEMBL21836226 0.78 SIGMAR1 (0.55) CYP3A4ALOX15TSHRCHRM2ADRA1A
SCHEMBL11100775 0.76 MTOR (0.44) ADRA2CCYP3A4ALOX15TSHRCHRM2

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
CN-112239609-A Associative thickeners free of biocides 罗门哈斯公司 2021-01-19 CN disclosed
CN-104487481-B Block copolymers for stable micelles 茵肽锌科技公司 2016-11-16 CN disclosed
US-6288224-B1 Preparation of n-arylmethyl aziridine derivatives, 1,4,7,10-tetraazacyclododecane derivatives obtained therefrom and n-arylethyl-ethanolamine sulphonate esters as intermediates NYCOMED SALUTAR, INC. 2001-09-11 US disclosed
US-6048979-A CYCLOTETRAMERIZING, CLEAVAGE OF ARYLMETHYL GROUPS TO PREPARE CYCLEN AND DERIVATIVES NYCOMED SALUTAR, INC. (US) 2000-04-11 US disclosed
EP-0813523-A2 PREPARATION OF N-ARYLMETHYL AZIRIDINE DERIVATIVES, 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES OBTAINED THEREFROM AND N-ARYLMETHYL-ETHANOL-AMINE SULPHONATE ESTERS AS INTERMEDIATES NYCOMED SALUTAR, INC. (US) 1997-12-29 EP disclosed
WO-1996028420-A2 PREPARATION OF N-ARYLMETHYL AZIRIDINE DERIVATIVES, 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES OBTAINED THEREFROM AND N-ARYLMETHYL-ETHANOL-AMINE SULPHONATE ESTERS AS INTERMEDIATES NYCOMED SALUTAR, INC. (US) 1996-09-19 WO disclosed