SCHEMBL9798166

SCHEMBL9798166

CCC(O)CCCn1cncn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.44
CYP19A1 P11511 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL10515720 0.91 CYP19A1 (0.49) EGLN3CYP19A1MEN1KMT2AUSP2
SCHEMBL11202609 0.89 EGLN3 (0.44) EGLN3CYP19A1MEN1KMT2AUSP2
SCHEMBL11202581 0.83 EGLN3 (0.42) EGLN3CYP19A1MEN1KMT2AUSP2
SCHEMBL10515726 0.81 EGLN3 (0.47) EGLN3CYP19A1MEN1KMT2AUSP2
SCHEMBL11959513 0.80 EGLN3 (0.42) EGLN3CYP19A1MEN1KMT2AUSP2
SCHEMBL13108577 0.79 POLB (0.46) EGLN3CYP19A1
SCHEMBL12900040 0.79 POLB (0.46) EGLN3CYP19A1
SCHEMBL2021737 0.79 POLB (0.46) EGLN3CYP19A1
SCHEMBL10451421 0.79 EGLN3 (0.44) EGLN3CYP19A1MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL4058189 0.78 POLB (0.44) EGLN3CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297346-B1 USE OF 1-(4-CHLOROPHENYL)-4,4-DIMETHYL-3-(1,2,4-TRIAZOL-1-YL-METHYL)-PENTAN-3-OL IN CONTROLLING PSEUDOCERCOSPORELLA HERPOTRICHOIDES BAYER AG (DE) 1991-03-06 EP claimed
EP-0287346-A1 Fungicide compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-10-19 EP claimed
EP-4363508-A1 FREEZE-DRIED LOADED AEROGEL PARTICLES WITH BIOCIDAL PROPERTIES Aerogel ApS (DK) 2024-05-08 EP disclosed
WO-2023275312-A1 FREEZE-DRIED LOADED AEROGEL PARTICLES WITH BIOCIDAL PROPERTIES AEROGEL APS (DK) 2023-01-05 WO disclosed
CN-113853409-A Composition comprising a metal oxide and a metal oxide 佐敦有限公司 2021-12-28 CN disclosed
EP-0260794-A2 Substituted phenyl-2-propenoic acid derivatives and their use as fungicides ZENECA LIMITED (GB) 1988-03-23 EP disclosed
EP-0256667-A2 Substituted phenyl-2-propenoic acid derivatives useful in agriculture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-02-24 EP disclosed