SCHEMBL23007648

SCHEMBL23007648

CCCCCOc1ccc(NC=O)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
SMPD1 P17405 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
PLA2G4B P0C869 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL4640110 0.92 SMPD1 (0.44) TSHRSMPD1PLA2G4B
SCHEMBL4640654 0.90 SMPD1 (0.46) THRATHRBTSHRSMPD1PLA2G4B
SCHEMBL27700898 0.85 KMT2A (0.47) HTTLMNATSHRSMN1; SMN2MEN1
SCHEMBL22954894 0.83 ALDH1A1 (0.44) HTTLMNAHPGD
SCHEMBL2203559 0.80 ALDH1A1 (0.56) HTTLMNASMN1; SMN2GAAHPGD
SCHEMBL13683800 0.78 ALDH1A1 (0.63) THRATHRBPLA2G4B
SCHEMBL14418357 0.78 MEN1 (0.48) SMPD1MEN1GAAKMT2A
SCHEMBL12882280 0.78 MAPT (0.44) HTTLMNATSHRSMN1; SMN2SMPD1
SCHEMBL2450255 0.78 L3MBTL1 (0.47) THRATHRBTSHRSMPD1GAA
SCHEMBL14195830 0.77 MAOB (0.62) THRATHRBPLA2G4B

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
WO-2021030703-A1 DEPALMITOYLATING COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-18 WO disclosed