SCHEMBL19240000

SCHEMBL19240000

CCCCCCNC(=O)C(=C/C=C1\SCCN1C)C(=O)NCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ USP2 O75604 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ EPHX1 P07099 6/20 0.37
▸ GNAI3 P08754 2/20 0.36
▸ GNAO1 P09471 2/20 0.36
▸ GNAI1 P63096 2/20 0.36
▸ ZDHHC20 Q5W0Z9 1/20 0.36
▸ ZDHHC2 Q9UIJ5 1/20 0.36
▸ PLA2G2A P14555 1/20 0.36

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
SCHEMBL19240050 0.78 NAAA (0.39) EPHX1GNAI3GNAO1GNAI1ZDHHC20
SCHEMBL6857292 0.65 EPHX1 (0.73) EPHX1ZDHHC20ZDHHC2PLA2G2ANAAA
SCHEMBL6859201 0.65 EPHX1 (0.73) EPHX1ZDHHC20ZDHHC2PLA2G2ANAAA
SCHEMBL18459813 0.65 EPHX1 (0.73) EPHX1ZDHHC20ZDHHC2PLA2G2ANAAA
SCHEMBL9060648 0.65 EPHX1 (0.73) EPHX1ZDHHC20ZDHHC2PLA2G2ANAAA
SCHEMBL12203408 0.65 EPHX1 (0.73) EPHX1ZDHHC20ZDHHC2PLA2G2ANAAA
SCHEMBL6854878 0.65 EPHX1 (0.73) EPHX1ZDHHC20ZDHHC2PLA2G2ANAAA
SCHEMBL14656966 0.65 EPHX1 (0.73) EPHX1ZDHHC20ZDHHC2PLA2G2ANAAA
SCHEMBL7642286 0.65 EPHX1 (0.73) EPHX1ZDHHC20ZDHHC2PLA2G2ANAAA
SCHEMBL9548561 0.65 EPHX1 (0.73) EPHX1ZDHHC20ZDHHC2PLA2G2ANAAA

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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