SCHEMBL9537402

SCHEMBL9537402

CCC(=O)Oc1ccc2c(c1)C(=O)CCN2C(=O)CC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ACHE P22303 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.39
ESR1 P03372 1/20 0.38
RECQL P46063 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
PTPN11 Q06124 1/20 0.38

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
SCHEMBL9537960 0.87 TP53 (0.51) TP53THRBSMN1; SMN2ALDH1A1HPGD
SCHEMBL9540504 0.83 TP53 (0.44) TP53THRBSMN1; SMN2TSHRALDH1A1
SCHEMBL9540553 0.83 MAPT (0.47) TP53SMN1; SMN2CYP11B1CYP11B2TSHR
SCHEMBL9536870 0.82 F10 (0.41) TP53THRBCYP11B1CYP11B2ALDH1A1
SCHEMBL9540984 0.80 CYP11B1 (0.44) TP53THRBSMN1; SMN2CYP11B1CYP11B2
SCHEMBL9535907 0.79 NOTUM (0.47) TP53THRBCYP11B1CYP11B2TSHR
SCHEMBL9537029 0.79 CYP11B1 (0.43) TP53THRBSMN1; SMN2CYP11B1CYP11B2
SCHEMBL11136938 0.79 NOTUM (0.47) TP53SMN1; SMN2CYP11B1CYP11B2TSHR
SCHEMBL10869086 0.76 LMNA (0.55) TP53SMN1; SMN2CYP11B1CYP11B2TSHR
SCHEMBL9538328 0.75 ALDH1A1 (0.45) SMN1; SMN2TSHRALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP claimed
EP-0180352-B1 BENZENE-FUSED HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-26 EP disclosed
US-4767780-A SUBSTITUTED 1,4-DIHYDRO-(1)-BENZOPYRANO(4,3-C)PYRAZOLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-30 US disclosed
US-4675324-A Substituted pyrazolo [4,3-c]pyridines and their use as uricosuric, diuretic and anti-hypertensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-23 US disclosed
EP-0180352-A2 Benzene-fused heterocyclic compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed