SCHEMBL7478060

SCHEMBL7478060

CCOC(=O)c1ccccc1Cc1cc2cc(C#N)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KDM4E B2RXH2 7/20 0.42
TSHR P16473 2/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 3/20 0.40
GLA P06280 2/20 0.40
ATM Q13315 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL7477511 0.84 ALOX5 (0.48) KDM4ETSHRALDH1A1HPGDRAB9A
SCHEMBL28750014 0.84 TSHR (0.50) KDM4ETSHRALDH1A1HPGDRAB9A
SCHEMBL7469855 0.84 GABRA1 (0.46) KDM4ETSHRALDH1A1HPGDRAB9A
SCHEMBL7481382 0.84 ALDH1A1 (0.46) KDM4ETSHRALDH1A1HPGDRAB9A
SCHEMBL7474003 0.83 HRH3 (0.60) KDM4ETSHRALDH1A1HPGDRAB9A
SCHEMBL7477279 0.82 PDGFRB (0.49) KDM4ETSHRALDH1A1HPGDRAB9A
SCHEMBL7481943 0.80 SMN1; SMN2 (0.46) KDM4ETSHRALDH1A1HPGDRAB9A
SCHEMBL7482853 0.79 HRH3 (0.50) KDM4ETSHRALDH1A1HPGDRAB9A
SCHEMBL1420412 0.77 KDM4E (0.68) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8645820 0.76 KDM4E (0.67) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1379774-A Compounds ASTRAZENECA AB (SE) 2002-11-13 CN disclosed
EP-1210343-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-06-05 EP disclosed
WO-2001012187-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-02-22 WO disclosed