SCHEMBL26698908

SCHEMBL26698908

Cc1ccc(OCc2cc(F)c(C)c(F)c2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.56
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
HTR6 P50406 2/20 0.39
FFAR1 O14842 3/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
S1PR5 Q9H228 1/20 0.36
LRRK2 Q5S007 1/20 0.36
BRD4 O60885 1/20 0.36
MAOB P27338 1/20 0.36
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 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
SCHEMBL26434787 0.86 MRGPRX4 (0.58) MRGPRX4MAPTL3MBTL1LMNAHTT
SCHEMBL15588794 0.83 MRGPRX4 (0.56) MRGPRX4MAPTLMNAHTTFFAR1
SCHEMBL171841 0.83 MRGPRX4 (0.68) MRGPRX4MAPTTDP1MAPK1L3MBTL1
SCHEMBL22114129 0.81 TUBB1 (0.52) MRGPRX4LMNA
SCHEMBL16210864 0.80 MRGPRX4 (0.53) MRGPRX4MAPTL3MBTL1LMNAHTT
SCHEMBL257777 0.80 MRGPRX4 (0.57) MRGPRX4LMNAHTTFFAR1RXRA
SCHEMBL19703006 0.78 MRGPRX4 (0.45) MRGPRX4MAPTTDP1LMNAHTT
SCHEMBL19374625 0.76 MRGPRX4 (0.50) MRGPRX4MAPTMAPK1MAOBRECQL
SCHEMBL16210297 0.76 MRGPRX4 (0.53) MRGPRX4MAPTLMNAHTTS1PR5
SCHEMBL13905218 0.76 MRGPRX4 (0.48) MRGPRX4MAPTTDP1MAPK1L3MBTL1

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
WO-2023232753-A1 FERROELECTRIC SMECTIC LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-12-07 WO disclosed
US-11795398-B2 Liquid-crystalline medium and liquid-crystal display comprising the same and compounds MERCK PATENT GMBH (DE) 2023-10-24 US disclosed