SCHEMBL9540504

SCHEMBL9540504

CCC(=O)N1CCC(=O)c2cc(OCC(=O)OC)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
THRB P10828 1/20 0.44
HTR7 P34969 1/20 0.41
RAB9A P51151 6/20 0.40
MAPT P10636 6/20 0.40
NPC1 O15118 5/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 7/20 0.39
HPGD P15428 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
NOTUM Q6P988 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39

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 0.86 TP53 (0.51) TP53THRBRAB9AMAPTNPC1
SCHEMBL9537402 0.83 TP53 (0.42) TP53THRBMAPTLMNAALDH1A1
SCHEMBL9536870 0.78 F10 (0.41) TP53THRBMAPTALDH1A1KMT2A
SCHEMBL9540984 0.76 CYP11B1 (0.44) TP53THRBMAPTLMNAALDH1A1
SCHEMBL9540553 0.76 MAPT (0.47) TP53MAPTSMN1; SMN2TSHRKMT2A
SCHEMBL9537750 0.76 POLB (0.36) HTR7MAPTALDH1A1HPGDKDM4E
SCHEMBL9537756 0.76 POLB (0.36) HTR7MAPTALDH1A1HPGDKDM4E
SCHEMBL9539028 0.76 KDM4E (0.40) TP53THRBRAB9AMAPTNPC1
SCHEMBL11136938 0.75 NOTUM (0.47) TP53ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL9537029 0.75 CYP11B1 (0.43) TP53THRBMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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