SCHEMBL29318958

SCHEMBL29318958

CCC(C)c1ccc(C(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ACE2 Q9BYF1 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
RORC P51449 1/20 0.34
ADRB2 P07550 1/20 0.34

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
SCHEMBL1415184 0.82 GABRP (0.44) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL13898468 0.78 GRM1 (0.38) TSHRRORCPPARACRHBPCRHR2
SCHEMBL14825876 0.77 HSP90AA1 (0.35) TSHRADRB2ADRB1ADRB3HSP90AA1
SCHEMBL1415186 0.76 NR4A1 (0.44) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL14827405 0.75 RORC (0.34) TSHRRORCADRB2ADRB1ADRB3
SCHEMBL14627192 0.75 AR (0.41) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL27492828 0.74 GABRA1 (0.43) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL5373294 0.74 IDO1 (0.45) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL29319010 0.74 TSHR (0.33) TSHRACE2ADRB2ADRB1ADRB3
SCHEMBL22545599 0.73 AAK1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240241444-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2024-07-18 US disclosed