SCHEMBL9514700

SCHEMBL9514700

CCCCCc1c(C(=O)O)cccc1-c1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 4/20 0.53
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
BRS3 P32247 1/20 0.43
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
RARB P10826 2/20 0.41
PPARG P37231 3/20 0.41
PTPN11 Q06124 1/20 0.41

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
SCHEMBL9514122 0.99 LTB4R2 (0.52) LTB4R2TSHRHSD17B10BRS3AGTR1
SCHEMBL11753978 0.96 LTB4R2 (0.53) LTB4R2TSHRHSD17B10BRS3AGTR1
SCHEMBL8676465 0.91 LTB4R2 (0.50) LTB4R2BRS3PPARG
SCHEMBL8678446 0.83 TSHR (0.46) LTB4R2TSHRHSD17B10RARBPTPN11
SCHEMBL10536375 0.82 RARB (0.59) LTB4R2BRS3RARB
SCHEMBL8678448 0.82 RARB (0.47) LTB4R2AGTR1AGTR2RARBPTPN11
SCHEMBL8678080 0.79 MPL (0.45) LTB4R2TSHRHSD17B10BRS3RARB
SCHEMBL2744074 0.78 LTB4R2 (0.46) LTB4R2TSHRBRS3
SCHEMBL8678083 0.78 LTB4R2 (0.43) LTB4R2BRS3RARBPTPN11
SCHEMBL27297604 0.78 PLK1 (0.50) TSHRRARBPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187768-B1 LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS FERGASON JAMES L (US) 1993-11-03 EP disclosed
US-5130828-A Liquid crystal temperature sensor and materials MANCHESTER R&D PARTNERSHIP (US) 1992-07-14 US disclosed
EP-0187768-A4 LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS. FERGASON JAMES L 1989-03-09 EP disclosed
EP-0187768-A1 LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS. FERGASON JAMES L 1986-07-23 EP disclosed
WO-1985005467-A1 LIQUID CRYSTAL TEMPERATURE SENSOR AND MATERIALS FERGASON JAMES L 1985-12-05 WO disclosed