SCHEMBL8059189

SCHEMBL8059189

O=C(O)NCc1cccc(CNC(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
TSHR P16473 1/20 0.68
CYP2C19 P33261 1/20 0.68
ALDH1A1 P00352 2/20 0.59
PKM P14618 2/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
ALOX12 P18054 1/20 0.59
HPGD P15428 1/20 0.56
POLB P06746 2/20 0.53
ESR1 P03372 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
AOC3 Q16853 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FBP1 P09467 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
SCHEMBL3368486 0.92 TSHR (0.59) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL1500540 0.90 CYP1A2 (0.79) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL20973086 0.90 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL6656120 0.90 TSHR (0.58) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL4341722 0.90 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL185065 0.90 CYP1A2 (0.68) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31160290 0.90 TSHR (0.58) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL1231292 0.88 CYP1A2 (0.65) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL2806074 0.88 CYP1A2 (0.59) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL1684294 0.88 MMP13 (0.62) CYP1A2CYP2D6CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114644576-A 1, 3-cyclohexanedimethylene dicarbamate and preparation method and application thereof 中国科学院过程工程研究所 2022-06-21 CN claimed
EP-3224390-B1 ELECTROCHEMICAL SYNTHESIS OF DICARBAMATES COVESTRO DEUTSCHLAND AG (DE) 2019-06-12 EP disclosed
US-20180347055-A1 ELECTROCHEMICAL SYNTHESIS OF DICARBAMATES COVESTRO DEUTSCHLAND AG (DE) 2018-12-06 US disclosed
EP-3224390-A1 ELECTROCHEMICAL SYNTHESIS OF DICARBAMATES Covestro Deutschland AG (DE) 2017-10-04 EP disclosed
WO-2016083475-A1 ELECTROCHEMICAL SYNTHESIS OF DICARBAMATES COVESTRO DEUTSCHLAND AG (DE) 2016-06-02 WO disclosed
US-6143917-A FROM A DIARYL CARBONATE AND AN AMINE COMPOUND HAVING AT LEAST ONE HYDROGEN ATOM LOCATED AT AN N-POSITION UNDER MODERATE CONDITIONS AT A HIGH REACTION RATE WITH A HIGH SELECTIVITY AND WITH A HIGH YIELD UBE INDUSTRIES, LTD. (JP) 2000-11-07 US disclosed
EP-0902014-A1 PROCESS FOR PRODUCING ARYL CARBAMATES UBE INDUSTRIES LIMITED (JP) 1999-03-17 EP disclosed
US-4141883-A Stabilization of synthetic polymers by penta-or-hexa-substituted 4-piperidinol derivatives SANKYO COMPANY, LIMITED (JP) 1979-02-27 US disclosed
US-4075165-A 2,2,6,6-TETRA-SUBSTITUTED-4-PIPERIDINOL CIBA-GEIGY CORPORATION (US) 1978-02-21 US disclosed