SCHEMBL10364768

SCHEMBL10364768

CCC(N)(O)c1cc(C)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.37
▸ TP53 P04637 2/20 0.34
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 3/20 0.33
▸ AR P10275 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 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
SCHEMBL8485345 0.81 CYP3A4 (0.42) SMN1; SMN2ALDH1A1KDM4EGAAHTT
SCHEMBL18536951 0.79 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TDP1TAAR1TP53
SCHEMBL10363878 0.79 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TDP1MEN1KMT2A
SCHEMBL13703291 0.74 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1TDP1TAAR1TP53
SCHEMBL23211226 0.73 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TDP1TAAR1TP53
SCHEMBL5300761 0.73 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TDP1TAAR1TP53
SCHEMBL9115636 0.73 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TDP1TAAR1TP53
SCHEMBL10889760 0.72 MEN1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL15957611 0.71 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TDP1TAAR1TP53
SCHEMBL18535958 0.71 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TDP1TAAR1TP53

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
EP-0381434-A1 Process for producing optically active alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-08 — — EP disclosed
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