SCHEMBL16762811

SCHEMBL16762811

CCCCC(CC)COC(=O)/C(C#N)=C(/c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.86
LMNA P02545 3/20 0.86
MAPK1 P28482 2/20 0.86
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 3/20 0.47
CA2 P00918 1/20 0.47
TSHR P16473 3/20 0.43
HSD17B10 Q99714 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
PTGS2 P35354 2/20 0.41
CYP19A1 P11511 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ATM Q13315 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL346933 1.00 ALDH1A1 (0.86) ALDH1A1LMNAMAPK1TDP1CYP3A4
SCHEMBL21908164 1.00 ALDH1A1 (0.86) ALDH1A1LMNAMAPK1TDP1CYP3A4
SCHEMBL469376 1.00 ALDH1A1 (0.86) ALDH1A1LMNAMAPK1TDP1CYP3A4
SCHEMBL10067446 0.93 ALDH1A1 (0.74) ALDH1A1LMNAMAPK1TDP1CYP3A4
Octocrylene SCHEMBL16483 0.93 ALDH1A1 (1.00) ALDH1A1LMNAMAPK1TDP1CYP3A4
Octocrylene SCHEMBL1769135 0.93 ALDH1A1 (1.00) ALDH1A1LMNAMAPK1TDP1CYP3A4
SCHEMBL15492965 0.92 ALDH1A1 (0.72) ALDH1A1LMNAMAPK1TDP1CYP3A4
Octocrylene SCHEMBL28123035 0.92 ALDH1A1 (0.98) ALDH1A1LMNAMAPK1TDP1CYP3A4
Octocrylene SCHEMBL19583477 0.91 ALDH1A1 (0.95) ALDH1A1LMNAMAPK1TDP1CYP3A4
Octocrylene SCHEMBL21835135 0.90 ALDH1A1 (0.69) ALDH1A1LMNAMAPK1TDP1CYP3A4

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-20190291390-A1 POLYMER INTERLAYERS COMPRISING UV ABSORBERS SOLUTIA INC. (US) 2019-09-26 US disclosed
US-20150158276-A1 POLYMER INTERLAYERS COMPRISING UV ABSORBERS SOLUTIA INC. (US) 2015-06-11 US disclosed