SCHEMBL19239985

SCHEMBL19239985

CCCCCCOC(=O)C(=C/C=C1\CCCN1C)C(=O)OCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ THRA P10827 3/20 0.36
▸ THRB P10828 3/20 0.36
▸ NAAA Q02083 3/20 0.36
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ IDE P14735 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ EPHX1 P07099 1/20 0.34

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
SCHEMBL19240024 0.84 GLO1 (0.41) NPSR1ALDH1A1LMNAMAPTMEN1
SCHEMBL19240081 0.81 PRSS1 (0.36) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL19240046 0.81 CES2 (0.40) ALDH1A1NAAAMAPTMEN1KMT2A
SCHEMBL19240023 0.80 ALDH1A1 (0.43) TSHRALDH1A1LMNAMAPTMEN1
SCHEMBL12758195 0.79 CHRM2 (0.37) TSHRALDH1A1LMNATHRATHRB
SCHEMBL14456204 0.73 ALDH1A1 (0.49) TSHRNPSR1RAD52ALDH1A1LMNA
SCHEMBL19240089 0.72 ALDH1A1 (0.48) TSHRNPSR1RAD52ALDH1A1LMNA
SCHEMBL13609918 0.68 ALDH1A1 (0.56) TSHRNPSR1RAD52ALDH1A1LMNA
SCHEMBL19239990 0.68 MEN1 (0.40) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL19240031 0.67 ALDH1A1 (0.64) TSHRNPSR1RAD52ALDH1A1LMNA

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-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
US-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
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