SCHEMBL2290336

SCHEMBL2290336

CCCCCOc1c(Br)c(Br)c(Br)c(Br)c1Br

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.47
THRB P10828 5/20 0.47
NR5A1 Q13285 1/20 0.41
LTA4H P09960 2/20 0.39
TLR4 O00206 3/20 0.38
LPAR2 Q9HBW0 2/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
TSHR P16473 2/20 0.36
PLA2G2A P14555 1/20 0.36
TP53 P04637 1/20 0.36
LPAR1 Q92633 2/20 0.35
LPAR3 Q9UBY5 2/20 0.35

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
SCHEMBL30597891 0.93 THRA (0.49) THRATHRBNR5A1LTA4HTLR4
SCHEMBL11407591 0.93 THRA (0.46) THRATHRBNR5A1LTA4HTLR4
SCHEMBL6885855 0.91 THRA (0.50) THRATHRBNR5A1LTA4HTLR4
SCHEMBL1776422 0.88 THRA (0.49) THRATHRBNR5A1TLR4LPAR2
SCHEMBL11484043 0.87 KLK1 (0.39) THRATHRB
SCHEMBL11702766 0.85 KLK1 (0.42) THRATHRB
SCHEMBL6377892 0.85 KLK1 (0.42) THRATHRB
SCHEMBL28742942 0.82 ALDH1A1 (0.36) THRATHRBLTA4HTLR4
SCHEMBL4140379 0.82 NR5A1 (0.48) THRATHRBNR5A1LTA4HTLR4
SCHEMBL6372210 0.82 SMN1; SMN2 (0.37) THRATHRB

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-7973102-B2 Resin composition and resin molded object SHISEIDO COMPANY, LTD. (JP) 2011-07-05 US disclosed
US-20070093588-A1 Resin composition and resin molded object UNITIKA LTD. (JP) 2007-04-26 US disclosed
EP-1688464-A1 RESIN COMPOSITION AND RESIN FORMED BODY SHISEIDO COMPANY LIMITED (JP) 2006-08-09 EP disclosed
EP-0980895-A1 HIGH-MOLECULAR ALIPHATIC POLYESTER RESIN COMPOSITION Showa Denko Kabushiki Kaisha (JP) 2000-02-23 EP disclosed