SCHEMBL10686241

SCHEMBL10686241

CCCCCC([CH]CC(CC)CCCC)CCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 4/20 0.41
CYP3A4 P08684 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.38
CA2 P00918 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.33
DNM1 Q05193 2/20 0.32
OPRM1 P35372 2/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL17674241 0.98 ALDH1A1 (0.39) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL9634110 0.94 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL8838785 0.94 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL8464662 0.86 LMNA (0.46) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL3397923 0.86 TSHR (0.50) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL6154186 0.79 TSHR (0.52) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL23925062 0.77 ALDH1A1 (0.42) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL23925061 0.77 ALDH1A1 (0.42) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL10900165 0.75 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL4459029 0.75 LMNA (0.33) LMNAOPRM1

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-4719025-A WEAR RESISTANCE, DIESTER, POLYETHER TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 1988-01-12 US disclosed