SCHEMBL11246098

SCHEMBL11246098

CCCCCCCCCCCCCCCNc1ccc(C=CC(=O)OCc2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.56
CA12 O43570 1/20 0.45
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
TBXAS1 P24557 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
NCOR2 Q9Y618 2/20 0.42
NAMPT P43490 1/20 0.42
EGFR P00533 1/20 0.41

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
SCHEMBL11246091 1.00 FAAH (0.56) FAAHCA12AKR1B10AKR1B1CA4
SCHEMBL11239625 0.87 LMNA (0.60) CA12AKR1B10AKR1B1CA4CA6
SCHEMBL11239628 0.87 LMNA (0.60) CA12AKR1B10AKR1B1CA4CA6
SCHEMBL11239652 0.81 EGFR (0.44) CA12AKR1B10AKR1B1CA4CA6
SCHEMBL11239647 0.81 EGFR (0.44) CA12AKR1B10AKR1B1CA4CA6
SCHEMBL11229892 0.80 CA12 (0.57) CA12CA7CA9CA14EGFR
SCHEMBL11229891 0.80 CA12 (0.57) CA12CA7CA9CA14EGFR
SCHEMBL11238170 0.80 FAAH (0.55) FAAHLMNAMEN1ALDH1A1MAPT
SCHEMBL11239738 0.77 EGFR (0.48) CA12CA7CA9CA14LMNA
SCHEMBL11239735 0.77 EGFR (0.48) CA12CA7CA9CA14LMNA

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-4348399-A Antiatherosclerotic and hypolipidemic 4-(monoalkylamino)phenyl alkane, alkene and alkyne carbinols, aldehydes, carboxylic acids and derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed