SCHEMBL31325829

SCHEMBL31325829

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.41
TSHR P16473 1/20 0.41
OPRM1 P35372 1/20 0.41
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PKM P14618 1/20 0.39
CA2 P00918 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
ESR1 P03372 6/20 0.36
ESR2 Q92731 3/20 0.36
CYP19A1 P11511 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A2 P23975 3/20 0.35

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
SCHEMBL31325837 0.84 ALDH1A1 (0.41) ACHETSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL31325838 0.82 MAOB (0.44) TSHRSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL31325824 0.80 FNTA (0.44) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL31325826 0.79 ALDH1A1 (0.43) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL31325830 0.79 LTA4H (0.50) TDP1CHRNB2CHRNA7CHRNA4TP53
SCHEMBL5426524 0.78 ALDH1A1 (0.61) TSHRSMN1; SMN2ALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL11785550 0.76 ALDH1A1 (0.65) TSHRSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL26422119 0.76 ACHE (0.42) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL5436496 0.76 APOBEC3A (0.50) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL12704926 0.75 MMP3 (0.48) ACHETSHROPRM1ALDH1A1KDM4E

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