SCHEMBL9514698

SCHEMBL9514698

N#Cc1ccc(CCCCCc2ccccc2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.48
FOLH1 Q04609 1/20 0.47
BID P55957 1/20 0.47
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
BAK1 Q16611 1/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
BRS3 P32247 1/20 0.45
FAAH O00519 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.44
PLK1 P53350 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
FFAR1 O14842 1/20 0.43
HTR1A P08908 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
OPRM1 P35372 1/20 0.43

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
SCHEMBL9514115 1.00 SLC16A3 (0.48) SLC16A3FOLH1BIDBCL2L1MCL1
SCHEMBL8676463 0.96 FOLH1 (0.49) SLC16A3FOLH1BIDBCL2L1MCL1
SCHEMBL11710027 0.83 FOLH1 (0.61) SLC16A3FOLH1BIDBCL2L1MCL1
SCHEMBL9345842 0.81 FOLH1 (0.68) SLC16A3FOLH1BIDBCL2L1MCL1
SCHEMBL10641089 0.80 TSHR (0.68) SLC16A3FOLH1TSHRHSD17B10PLK1
SCHEMBL8861208 0.80 NAMPT (0.48) BIDBCL2L1MCL1BAK1FAAH
SCHEMBL20162476 0.80 FOLH1 (0.61) SLC16A3FOLH1BIDBCL2L1MCL1
4-Cyanophenol SCHEMBL28984522 0.80 LTB4R2 (0.47) SLC16A3FOLH1BIDBCL2L1MCL1
SCHEMBL6959119 0.79 TSHR (0.62) TSHRHSD17B10FAAH
SCHEMBL6953471 0.79 TSHR (0.62) TSHRHSD17B10FAAH

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