SCHEMBL2690540

SCHEMBL2690540

CCC(CC)C1=CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 1/20 0.31
ALOX15 P16050 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CTSK P43235 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
SCHEMBL16415987 0.86 CYP2D6 (0.31) ALDH1A1RAB9A
SCHEMBL9451074 0.86 ALDH1A1 (0.30) ALDH1A1RAB9A
SCHEMBL10393037 0.86 KMT2A (0.31) KMT2AMEN1ALDH1A1RAB9A
SCHEMBL10393040 0.86 KMT2A (0.31) KMT2AMEN1ALDH1A1RAB9A
SCHEMBL9513051 0.85
SCHEMBL8671705 0.82 KMT2A (0.34) KMT2AMEN1ALDH1A1RAB9AALOX15
SCHEMBL10580714 0.81
SCHEMBL4744556 0.80 KMT2A (0.33) KMT2AMEN1ALDH1A1RAB9AALOX15
SCHEMBL7994426 0.78 KMT2A (0.33) KMT2AMEN1KDM4E
SCHEMBL4109918 0.78 IDO1 (0.37) KMT2AMEN1ALDH1A1RAB9AKDM4E

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
US-8168842-B2 Process for the alkylation of a cycloalkene SHELL OIL COMPANY (US) 2012-05-01 US disclosed
US-20090227824-A1 PROCESS FOR THE ALKYLATION OF A CYCLOALKENE SHELL OIL COMPANY 2009-09-10 US disclosed
WO-2007135047-A1 PROCESS FOR THE ALKYLATION OF A CYCLOALKENE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2007-11-29 WO disclosed