SCHEMBL22309538

SCHEMBL22309538

C=C/C=C\C(=C/CC)N(C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.35
▸ PHGDH O43175 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ GLA P06280 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
SCHEMBL18900784 0.86 TRPM8 (0.33) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL18436868 0.83 FAAH (0.39) FAAHPHGDHMGLLCA12CA1
SCHEMBL20341419 0.82 FAAH (0.42) FAAHPHGDHMGLLCA12CA1
SCHEMBL12700553 0.76 FAAH (0.40) FAAHPHGDHMGLLCA12CA1
SCHEMBL22053528 0.75 FAAH (0.40) FAAHPHGDHMGLLCA12CA1
SCHEMBL22389368 0.74 — —
SCHEMBL20997728 0.74 ALDH1A1 (0.33) LMNAALDH1A1NPC1RAB9AHTT
SCHEMBL20059312 0.71 NPSR1 (0.38) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL18400754 0.71 MEN1 (0.32) KMT2AHTTMEN1
SCHEMBL18400709 0.71 NPSR1 (0.38) L3MBTL1ALDH1A1NPC1RAB9AKMT2A

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
WO-2020158818-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME 日産化学株式会社 2020-08-06 — — WO disclosed
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