SCHEMBL28172172

SCHEMBL28172172

[CH2]CC1=CCCCC1.[CH2]OC(=O)C(=C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1682390 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
Ethylene SCHEMBL12478059 0.77 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL49179 0.76
SCHEMBL8184253 0.74 CXCR3 (0.42) ALDH1A1SMN1; SMN2RAB9ANPC1ALOX15
SCHEMBL199976 0.74
SCHEMBL8185902 0.74 CXCR3 (0.42) ALDH1A1SMN1; SMN2RAB9ANPC1ALOX15
SCHEMBL954500 0.74 CXCR3 (0.42) ALDH1A1SMN1; SMN2RAB9ANPC1ALOX15
SCHEMBL8184432 0.74 CXCR3 (0.42) ALDH1A1SMN1; SMN2RAB9ANPC1ALOX15
SCHEMBL8185904 0.74 CXCR3 (0.42) ALDH1A1SMN1; SMN2RAB9ANPC1ALOX15
SCHEMBL8184430 0.74 CXCR3 (0.42) ALDH1A1SMN1; SMN2RAB9ANPC1ALOX15

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-107039239-A Chip processome and wafer processing method 信越化学工业株式会社 2017-08-11 CN disclosed