SCHEMBL14716581

SCHEMBL14716581

CCCCCCCCCCCCN1C(=O)c2c(-c3cc(CCCCCCCC)c(Br)s3)sc(-c3cc(CCCCCCCC)c(Br)s3)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ MGLL Q99685 3/20 0.37
▸ FAAH O00519 1/20 0.37
▸ CDC25A P30304 8/20 0.33
▸ CES1 P23141 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ ALDH2 P05091 1/20 0.32

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
SCHEMBL14716279 1.00 PTGS1 (0.37) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL16252218 0.85 ALDH1A1 (0.33) CDC25AALDH1A1HPGDTSHRGPR84
SCHEMBL16252226 0.84 PSEN1 (0.32) —
SCHEMBL16361863 0.83 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL18325092 0.82 — —
SCHEMBL14716455 0.81 PTGS1 (0.38) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL14716549 0.81 PTGS1 (0.38) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL17130524 0.81 CA12 (0.36) ALDH1A1TP53HSP90AA1CYP3A4G6PD
SCHEMBL17034203 0.80 KDM4E (0.39) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL16307242 0.79 PTGS1 (0.32) PTGS1PTGS2MGLLFAAH

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-8816035-B2 Photoactive polymers UNIVERSITE LAVAL (CA) 2014-08-26 — — US disclosed
US-20130048075-A1 NOVEL PHOTOACTIVE POLYMERS UNIVERSITE LAVAL (CA) 2013-02-28 — — US disclosed
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