SCHEMBL24935997

SCHEMBL24935997

CCCOCCCCOc1ccc(C(C)C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR2 O95136 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
FAAH O00519 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR1 O14842 1/20 0.34
ACHE P22303 2/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
BCHE P06276 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9945951 0.89 HTT (0.41) L3MBTL1ALDH1A1LMNATHRATHRB
SCHEMBL15000495 0.88 THRA (0.49) L3MBTL1ALDH1A1LMNATHRATHRB
SCHEMBL20225798 0.88 THRA (0.49) L3MBTL1ALDH1A1LMNATHRATHRB
SCHEMBL11994372 0.88 FAAH (0.43) L3MBTL1ALDH1A1LMNATHRATHRB
SCHEMBL25063748 0.87 L3MBTL1 (0.39) L3MBTL1ALDH1A1LMNATHRATHRB
SCHEMBL23178692 0.84 KDM4E (0.39) L3MBTL1MRGPRX4HTTSMN1; SMN2FFAR1
SCHEMBL20232153 0.82 L3MBTL1 (0.41) L3MBTL1ALDH1A1LMNATHRATHRB
SCHEMBL24935186 0.80 MRGPRX4 (0.44) L3MBTL1ALDH1A1THRATHRBMRGPRX4
SCHEMBL8228423 0.79 KDM1A (0.47) L3MBTL1ALDH1A1MRGPRX4TDP1FAAH
SCHEMBL25063933 0.79 MRGPRX4 (0.40) L3MBTL1ALDH1A1LMNATHRATHRB

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-4119546-A1 BIFUNCTIONAL COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Suzhou Kintor Pharmaceuticals, Inc. (CN) 2023-01-18 EP disclosed