SCHEMBL9016315

SCHEMBL9016315

CC(C)(C1CCCCCC1)C1CCCCCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
CYP1A2 P05177 1/20 0.33
SSTR4 P31391 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL29024831 1.00 EPHX1 (0.33) EPHX1CYP1A2SSTR4ALDH1A1MEN1
SCHEMBL133604 1.00 EPHX1 (0.33) EPHX1CYP1A2SSTR4ALDH1A1MEN1
Ammonia Solution, Strong SCHEMBL4197768 0.97 EPHX1 (0.32) EPHX1CYP1A2SSTR4ALDH1A1MEN1
SCHEMBL19809440 0.97 EPHX1 (0.37) EPHX1CYP1A2SSTR4ALDH1A1MEN1
Benzene SCHEMBL3916200 0.91 KEAP1 (0.34) EPHX1
SCHEMBL18965981 0.84 EPHX1 (0.31) EPHX1ALDH1A1MEN1LMNAALOX12
SCHEMBL332043 0.84 ALDH1A1 (0.32) EPHX1SSTR4ALDH1A1
Isothiocyanate SCHEMBL332271 0.84 MEN1 (0.30) ALDH1A1MEN1LMNAALOX12KMT2A
SCHEMBL3003650 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8710279 0.84 TSHR (0.43) EPHX1SSTR4ALDH1A1MEN1LMNA

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
US-5556921-A COPPER CATALYST, COATING BINDER, IMPACT RESISTANCE EASTERN MICHIGAN UNIVERSITY (US) 1996-09-17 US disclosed