SCHEMBL2229412

SCHEMBL2229412

CC(C)=CCCC(C)=CCCC(C)=C[CH]CC=C(C)CCC=C(C)CCC=C(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.57
CYP3A4 P08684 2/20 0.57
ALOX15 P16050 2/20 0.57
UGT1A1 P22309 1/20 0.57
SQLE Q14534 7/20 0.55
KDM4E B2RXH2 1/20 0.52
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
PGR P06401 1/20 0.48

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
SCHEMBL2230713 1.00 KMT2A (0.64) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL3273420 1.00 KMT2A (0.64) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL7776391 1.00 KMT2A (0.64) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL709979 1.00 KMT2A (0.64) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL4780329 1.00 KMT2A (0.64) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL1905061 1.00 KMT2A (0.64) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL73977 0.98 KMT2A (0.60) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL158028 0.98 KMT2A (0.60) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL5092302 0.98 KMT2A (0.60) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL6924137 0.96 KMT2A (0.64) KMT2AMAPTALDH1A1MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977315-B2 prenylation enzyme inhibitors such as 5,9,13-trimethyl-2-nitrotetradeca-2,8,12-triene, used as anticarcinogenic or antitumor agents ARIZONA BIOMEDICAL RESEARCH COMMISSION (US) 2011-07-12 US disclosed
WO-2004022778-A1 METHODS OF DIAGNOSIS AND PROGNOSIS OF OVARIAN CANCER GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2004-03-18 WO disclosed