SCHEMBL9766513

SCHEMBL9766513

CCCC(C)c1ccc(SSc2ccc(C(C)CCC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.35
RIPK1 Q13546 1/20 0.35
ESR1 P03372 3/20 0.32
ESR2 Q92731 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
XBP1 P17861 1/20 0.31

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
SCHEMBL9746668 0.86 RIPK1 (0.43) RIPK1ESR1ESR2TAAR1SMN1; SMN2
SCHEMBL9766527 0.86 LMNA (0.38) SLC6A4RIPK1ESR1ALDH1A1ALOX15
SCHEMBL20621635 0.85 SLC6A4 (0.52) SLC6A4TAS1R3TAS1R1MAOASLC6A2
SCHEMBL943047 0.82 ALDH1A1 (0.47) SLC6A4ALDH1A1ALOX15USP2GAA
SCHEMBL18885111 0.79 KDM4E (0.42) SLC6A4RIPK1ALDH1A1GAALMNA
SCHEMBL10446001 0.77 CA12 (0.47) SLC6A4RIPK1ESR1ESR2SLC6A2
SCHEMBL23219831 0.76 RIPK1 (0.36) RIPK1ESR1ESR2TAAR1
SCHEMBL20758394 0.76 GRIA4 (0.42) RIPK1ALDH1A1ALOX15USP2GAA
SCHEMBL18685712 0.76 TSHR (0.48) RIPK1ESR1ESR2ALDH1A1HPGD
SCHEMBL21503575 0.76 ALDH1A1 (0.44) ALDH1A1HPGDLMNAKMT2ASLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5034152-A Liquid crystal 4-alkylbenzenethiols, ferroelectricity CANON KABUSHIKI KAISHA (JP) 1991-07-23 US disclosed
US-4816178-A Optically active compound and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-03-28 US disclosed