SCHEMBL21241009

SCHEMBL21241009

CCC(C)/C=C(\C)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.55
CYP3A4 P08684 2/20 0.55
ALOX15 P16050 2/20 0.55
ALDH1A1 P00352 1/20 0.55
UGT1A1 P22309 1/20 0.55
SQLE Q14534 6/20 0.53
KDM4E B2RXH2 2/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50

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
SCHEMBL22590571 0.82 KMT2A (0.59) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23918039 0.82 KMT2A (0.53) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL536905 0.82 KMT2A (0.58) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL16095277 0.81 KMT2A (0.57) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL6061537 0.79 KMT2A (0.55) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL6664660 0.79 KMT2A (0.67) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL16359707 0.79 KMT2A (0.54) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL795270 0.79 KMT2A (0.54) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL795271 0.79 KMT2A (0.54) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL22167140 0.79 KMT2A (0.58) KMT2AMAPTMEN1CYP3A4ALOX15

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
EP-3013925-B1 LUBRICATING COMPOSITIONS CONTAINING ISOPRENE BASED COMPONENTS CASTROL LTD (GB) 2019-08-07 EP disclosed