SCHEMBL9487157

SCHEMBL9487157

CCCCOc1cccc(Sc2cccc(OCCCC)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
LTA4H P09960 2/20 0.52
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.47
THRB P10828 1/20 0.47
PLA2G4B P0C869 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
SMPD1 P17405 3/20 0.44

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
SCHEMBL9854197 0.91 KMT2A (0.53) TSHRLTA4HKMT2ASMN1; SMN2GPBAR1
SCHEMBL11663247 0.91 KMT2A (0.58) TSHRLTA4HKMT2ASMN1; SMN2
SCHEMBL18883701 0.87 TSHR (0.51) TSHRLTA4HTLR4TLR2CYP1A2
SCHEMBL4397448 0.84 TSHR (0.63) TSHRLTA4HTLR4TLR2CYP1A2
SCHEMBL27639866 0.83 CA12 (0.50) LTA4HGPBAR1CYSLTR2CYSLTR1CYP3A4
SCHEMBL12125580 0.83 TSHR (0.47) TSHRLTA4HTLR4TLR2CYP1A2
SCHEMBL9487844 0.82 TP53 (0.57) TSHRLTA4HCYP1A2CYP2C19KMT2A
SCHEMBL13536973 0.82 TSHR (0.58) TSHRLTA4HKMT2APLA2G4BSMN1; SMN2
SCHEMBL13179955 0.81 KMT2A (0.43) TSHRTLR4TLR2KMT2ATHRB
SCHEMBL28958950 0.81 TSHR (0.61) TSHRLTA4HTHRBPLA2G4BSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7343073-B2 Optical members and compositions for producing them FUJIFILM CORPORATION (JP) 2008-03-11 US disclosed
US-7343073-B2 Optical members and compositions for producing them FUJIFILM CORPORATION (JP) 2008-03-11 US disclosed
US-5250657-A Process for preparing polyarylene thioether SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1993-10-05 US disclosed
EP-0440106-A2 Process for preparing polyarylene thioethers SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1991-08-07 EP disclosed