SCHEMBL31325830

SCHEMBL31325830

CC[N+](C)(Cc1ccc(OC)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
SIGMAR1 Q99720 1/20 0.42
CA4 P22748 1/20 0.42
HTT P42858 1/20 0.41
IDO1 P14902 2/20 0.40
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
AGXT P21549 1/20 0.38
TRPA1 O75762 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL9344086 0.94 LTA4H (0.45) LTA4HSIGMAR1CA4HTTIDO1
SCHEMBL9342324 0.83 LMNA (0.48) HTTTP53EGFRERBB2NPC1
SCHEMBL31325836 0.81 LTA4H (0.52) LTA4HSIGMAR1CA4HTTIDO1
SCHEMBL31325837 0.81 ALDH1A1 (0.41) HTTIDO1TP53TDP1L3MBTL1
SCHEMBL565171 0.81 LTA4H (0.55) LTA4HSIGMAR1CA4HTTIDO1
SCHEMBL2289588 0.79 LTA4H (0.58) LTA4HSIGMAR1CA4HTTIDO1
SCHEMBL31325829 0.79 ACHE (0.41) TP53EGFRCHRNB2CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL6277766 0.79 LTA4H (0.53) LTA4HSIGMAR1CA4HTTIDO1
SCHEMBL31325838 0.79 MAOB (0.44) HTTTP53TAAR1TDP1L3MBTL1
Fluoride Ion SCHEMBL4075058 0.78 LTA4H (0.52) LTA4HSIGMAR1CA4HTTIDO1

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-2025018368-A1 ADHESIVE COMPOSITION, ADHESIVE FILM FOR CIRCUIT CONNECTION, CONNECTED STRUCTURE, AND METHOD FOR PRODUCING CONNECTED STRUCTURE 株式会社レゾナック 2025-01-23 WO disclosed