SCHEMBL9490192

SCHEMBL9490192

CCCCOc1ccc(-c2ccc(C(=O)OC(C)COCCC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
RARB P10826 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.46
TP53 P04637 1/20 0.46
PLA2G4B P0C869 3/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 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
SCHEMBL9487524 0.97 TSHR (0.59) TSHRRARBTP53PLA2G4B
SCHEMBL9489047 0.96 RARB (0.59) TSHRRARBTP53PLA2G4B
SCHEMBL9489319 0.96 RARB (0.59) TSHRRARBTP53PLA2G4B
SCHEMBL9490197 0.96 RARB (0.59) TSHRRARBTP53PLA2G4B
SCHEMBL9487959 0.96 RARB (0.59) TSHRRARBTP53PLA2G4B
SCHEMBL9488732 0.96 TSHR (0.63) TSHRRARBL3MBTL1TP53PLA2G4B
SCHEMBL9488551 0.94 TSHR (0.60) TSHRRARBTP53PLA2G4B
SCHEMBL9489406 0.93 RARB (0.60) TSHRRARBTP53PLA2G4B
SCHEMBL9490043 0.93 RARB (0.60) TSHRRARBTP53PLA2G4B
SCHEMBL9489257 0.93 RARB (0.60) TSHRRARBTP53PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236618-A Liquid crystal phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-17 US disclosed
EP-0168043-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1990-11-07 EP disclosed
US-4744918-A Liquid crystal phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-05-17 US disclosed