SCHEMBL7785329

SCHEMBL7785329

CCOc1ccc(Cc2cc[c]cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 3/20 0.45
DHFR P00374 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
LTA4H P09960 3/20 0.44
PLK1 P53350 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2488793 0.87 NQO1 (0.74) NQO1SMN1; SMN2LMNATSHRTDP1
SCHEMBL10708237 0.85 CYP1A2 (0.50) SMN1; SMN2LMNATSHRKDM4ELTA4H
SCHEMBL7425137 0.85 LMNA (0.53) SMN1; SMN2LMNAKDM4EMAPTDHFR
SCHEMBL21151 0.83
SCHEMBL15201648 0.81 NQO1 (0.64) NQO1SMN1; SMN2LMNATSHRTDP1
SCHEMBL3889599 0.81 NQO1 (0.62) NQO1SMN1; SMN2TSHRTDP1KDM4E
SCHEMBL27389125 0.81 NQO1 (0.62) NQO1SMN1; SMN2TSHRTDP1KDM4E
SCHEMBL3887440 0.81 NQO1 (0.62) NQO1SMN1; SMN2TSHRTDP1KDM4E
SCHEMBL27588995 0.81 NQO1 (0.62) NQO1SMN1; SMN2TSHRTDP1KDM4E
SCHEMBL27617296 0.81 NQO1 (0.62) NQO1SMN1; SMN2TSHRTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001521492-A 2001-11-06 JP claimed
EP-0960106-A1 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) NEUROGEN CORPORATION (US) 1999-12-01 EP claimed
WO-1998033784-A1 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) NEUROGEN CORPORATION (US) 1998-08-06 WO claimed
EP-3371199-A1 A COMPLEX OF A GLUCOPYRANOSYL DERIVATIVE AND PREPARATION METHOD AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2018-09-12 EP disclosed
CN-107641139-A Crystal formation of Dapagliflozin intermediate and preparation method thereof 江苏豪森药业集团有限公司 2018-01-30 CN disclosed
CN-107629097-A The solid form and its application method of a kind of compound 莱西肯医药有限公司 2018-01-26 CN disclosed
WO-2017088839-A1 A COMPLEX OF A GLUCOPYRANOSYL DERIVATIVE AND PREPARATION METHOD AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-06-01 WO disclosed
WO-2016041470-A1 SGLT-2 INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2016-03-24 WO disclosed
EP-2895490-A1 GLUCOPYRANOSYL DERIVATIVES AND THEIR USES IN MEDICINE Sunshine Lake Pharma Co., Ltd. (CN) 2015-07-22 EP disclosed
WO-2015043511-A1 GLUCOPYRANOSYL DERIVATIVES AND THEIR USES IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-04-02 WO disclosed
WO-2015043473-A1 GLUCOPYRANOSYL DERIVATIVES AND THEIR USES IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-04-02 WO disclosed
CN-104098536-A Synthetic method of dideoxy C-glycosidic SGLT2 (sodium-dependent glucose cotransporter 2) inhibitor and intermediate product of preparation method TIANJIN INST PHARM RESEARCH 2014-10-15 CN disclosed