SCHEMBL704379

SCHEMBL704379

CC(C)=CC[CH]/C=C(\C)CCC=C(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALOX15 P16050 2/20 0.52
NR1I2 O75469 1/20 0.52
LMNA P02545 1/20 0.52
PGR P06401 1/20 0.52
MAPT P10636 2/20 0.50
UGT1A1 P22309 1/20 0.50
SQLE Q14534 6/20 0.48
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL6924137 0.96 KMT2A (0.64) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL5092302 0.93 KMT2A (0.60) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL73977 0.93 KMT2A (0.60) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL158028 0.93 KMT2A (0.60) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL3273420 0.91 KMT2A (0.64) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL4780329 0.91 KMT2A (0.64) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL2229412 0.91 KMT2A (0.64) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL709979 0.91 KMT2A (0.64) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL1905061 0.91 KMT2A (0.64) ALDH1A1KMT2AMEN1CYP3A4ALOX15
SCHEMBL7776391 0.91 KMT2A (0.64) ALDH1A1KMT2AMEN1CYP3A4ALOX15

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-8124390-B2 Aromatic prenyltransferases, nucleic acids encoding same and uses therefor THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2012-02-28 US disclosed