SCHEMBL11684336

SCHEMBL11684336

CCCCOc1ccc(C=O)c(OCCCC)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TLR4 O00206 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ERN1 O75460 1/20 0.37
PDE4B Q07343 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL5454243 0.93 ALDH1A1 (0.43) GAATDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL5443168 0.88 HPGD (0.37) GAATDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL16160607 0.87 ALDH1A1 (0.48) GAATDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL5446680 0.87 ALDH1A1 (0.36) GAATDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL19710403 0.87 GAA (0.48) GAATDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL5444761 0.86 ERN1 (0.40) GAATDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL5452274 0.86 EGFR (0.41) GAATDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL5454088 0.86 CYP1A2 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2CYP1A2
SCHEMBL5456528 0.85 ALDH1A1 (0.44) GAATDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL5451522 0.84 TSHR (0.46) L3MBTL1LMNA

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-4024274-A Benzylamine derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed