SCHEMBL9850762

SCHEMBL9850762

CCCCCCCOc1c(F)cccc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
PTPN1 P18031 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
FAAH O00519 6/20 0.39
NR5A1 Q13285 1/20 0.39
LTA4H P09960 1/20 0.38
GSTA1 P08263 2/20 0.37
GSTP1 P09211 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MCHR1 Q99705 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36

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
SCHEMBL15564752 0.88 TSHR (0.47) TSHRPTPN1L3MBTL1FAAHNR5A1
SCHEMBL15295179 0.86 L3MBTL1 (0.47) TSHRPTPN1L3MBTL1FAAHNR5A1
SCHEMBL2197109 0.81 MCHR1 (0.47) TSHRPTPN1NR5A1MEN1KMT2A
SCHEMBL29469945 0.80 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2TDP1
SCHEMBL8214668 0.80 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2TDP1
SCHEMBL29234061 0.80 NR5A1 (0.46) TSHRPTPN1L3MBTL1FAAHNR5A1
SCHEMBL15295256 0.80 L3MBTL1 (0.44) L3MBTL1FAAHLTA4HMEN1KMT2A
SCHEMBL6742020 0.80 NR5A1 (0.47) TSHRL3MBTL1NR5A1LTA4HMEN1
SCHEMBL31412157 0.80 NR5A1 (0.47) TSHRNR5A1LTA4H
SCHEMBL27934486 0.80 NR5A1 (0.47) TSHRNR5A1LTA4H

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-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 EP disclosed