SCHEMBL7975875

SCHEMBL7975875

O=C(O)C(Cc1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.61
LMNA P02545 4/20 0.52
EDNRA P25101 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPSR1 Q6W5P4 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 2/20 0.48
P4HTM Q9NXG6 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL27396000 0.89 LMNA (0.53) MAPK9LMNAEDNRACYP1A2CYP2C9
SCHEMBL7993145 0.83 LMNA (0.50) MAPK9LMNAEDNRACYP1A2CYP2C9
SCHEMBL9309103 0.82 ADRB3 (0.53) LMNAEDNRACYP1A2CYP2C9CYP2C19
SCHEMBL6367096 0.82 MAPK9 (0.68) MAPK9EDNRACYP1A2CYP2C9CYP2C19
SCHEMBL6367100 0.82 MAPK9 (0.68) MAPK9EDNRACYP1A2CYP2C9CYP2C19
SCHEMBL31062585 0.81 AKR1C3 (0.66) MAPK9EDNRACYP1A2CYP2C9CYP2C19
SCHEMBL7269510 0.81 MAPK9 (0.66) MAPK9EDNRACYP1A2CYP2C9CYP2C19
SCHEMBL14537417 0.81 AKR1C3 (0.66) MAPK9EDNRACYP1A2CYP2C9CYP2C19
SCHEMBL6985620 0.81 MAPK9 (0.66) MAPK9EDNRACYP1A2CYP2C9CYP2C19
SCHEMBL7835310 0.81 AKR1C3 (0.66) MAPK9EDNRACYP1A2CYP2C9CYP2C19

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-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 EP disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO disclosed
EP-0499196-A1 Intermediates and process for preparing carbapenem derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-19 EP disclosed
WO-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed