SCHEMBL25473117

SCHEMBL25473117

CC(=O)C(C)(C)OC1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.34
CYP19A1 P11511 1/20 0.34
NAAA Q02083 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL12928744 0.98 EPHX1 (0.37) EPHX1CYP19A1NAAASMN1; SMN2HTT
SCHEMBL8283633 0.78 EPHX1 (0.36) EPHX1CYP19A1NAAASMN1; SMN2HTT
SCHEMBL10352166 0.74 MEN1 (0.35)
SCHEMBL26077300 0.72 CYP4F2 (0.41) EPHX1CYP19A1NAAA
SCHEMBL14960420 0.71 TSHR (0.35)
SCHEMBL24781028 0.71 EPHX1 (0.42) EPHX1CYP19A1NAAASMN1; SMN2HTT
SCHEMBL10578670 0.71 CYP19A1 (0.31) EPHX1CYP19A1
SCHEMBL20526369 0.70 CA12 (0.32) EPHX1CYP19A1
SCHEMBL1357594 0.70 ACHE (0.32) EPHX1CYP19A1
SCHEMBL1357595 0.70 CA12 (0.32) EPHX1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083295-A1 ESTER DERIVATIVES OF N4-HYDROXYCYTIDINE AND USE THEREOF SUZHOU SPRING-SEA BIO-PHARMACEUTICALS CO., LTD. (CN) 2023-05-19 WO disclosed