SCHEMBL28318552

SCHEMBL28318552

CCCCCCCC(c1ccc(O)cc1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
BCL2L1 Q07817 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BCL2L2 Q92843 1/20 0.49
NR5A1 Q13285 1/20 0.47
ESR1 P03372 5/20 0.46
ADORA3 P0DMS8 3/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 3/20 0.46
ADRA2A P08913 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A4 P31645 2/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
PTGS1 P23219 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL2460439 1.00 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ABCL2L1SMN1; SMN2
SCHEMBL17868744 1.00 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ABCL2L1SMN1; SMN2
SCHEMBL28879526 0.85 ESR1 (0.50) ALDH1A1MEN1KMT2ABCL2L1SMN1; SMN2
SCHEMBL9357084 0.85 ESR1 (0.53) ALDH1A1MEN1KMT2ABCL2L1SMN1; SMN2
SCHEMBL6747067 0.83 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ABCL2L1SMN1; SMN2
SCHEMBL6745039 0.83 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ABCL2L1SMN1; SMN2
SCHEMBL6744267 0.81 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ABCL2L1SMN1; SMN2
SCHEMBL10435796 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ABCL2L1SMN1; SMN2
SCHEMBL14142312 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ABCL2L1SMN1; SMN2
SCHEMBL22211043 0.80 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ABCL2L1SMN1; SMN2

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
CN-107200866-B A kind of resistance to yellow agent of soft polyurethane foam 汕头市八隅新材料有限公司 2019-08-16 CN claimed