SCHEMBL9559643

SCHEMBL9559643

C=CCC=CCc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9559673 0.88 MAOB (0.41) MAOBALDH1A1TP53CYP3A4ALOX15
SCHEMBL4564401 0.84 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL14046071 0.79 MAOB (0.41) MAOBALDH1A1TP53CYP3A4ALOX15
SCHEMBL14027705 0.79 MAOB (0.41) MAOBALDH1A1TP53CYP3A4ALOX15
SCHEMBL27869120 0.74 HRH3 (0.33) TSHR
Water SCHEMBL28100235 0.73 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL8074747 0.71 MAOB (0.71) MAOBSMN1; SMN2
SCHEMBL8074750 0.71 MAOB (0.71) MAOBSMN1; SMN2
SCHEMBL20779 0.71
SCHEMBL584333 0.70 ALDH1A1 (0.56) ALDH1A1TP53CYP3A4ALOX15TSHR

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
US-5235061-A 2,4-disilaalkanes; agriculture KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1993-08-10 US disclosed