SCHEMBL25838476

SCHEMBL25838476

CCCC(OCC)(OCC)c1ccccc1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ESR1 P03372 2/20 0.31
AR P10275 1/20 0.31
ESR2 Q92731 1/20 0.31
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL8101437 0.85 TSHR (0.35) TSHRACHENLRP3
SCHEMBL7606440 0.75 KCNN4 (0.38) TSHR
SCHEMBL9507129 0.75 GABRA1 (0.36) TSHRACHEL3MBTL1ESR1NLRP3
SCHEMBL13450447 0.75 GABRA1 (0.36) TSHRACHEL3MBTL1ESR1NLRP3
SCHEMBL5590574 0.74 ALDH1A1 (0.36) TSHRACHEESR1ARESR2
SCHEMBL28820101 0.73 TSHR (0.35) TSHRACHENLRP3
SCHEMBL28092974 0.73 TSHR (0.35) TSHRACHENLRP3
SCHEMBL14163871 0.73 TSHR (0.35) TSHRACHENLRP3
SCHEMBL15656256 0.71 ACHE (0.36) TSHRACHEL3MBTL1ESR1AR
SCHEMBL20210869 0.71 CASR (0.39) TSHRACHEL3MBTL1ESR1AR

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
EP-3722291-B1 INDOLINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF FIBROTIC DISEASES RESPIVERT LTD (GB) 2023-07-19 EP disclosed