SCHEMBL9754099

SCHEMBL9754099

COC(=O)c1ccc(-c2sc(CCCc3ccc(CC(C)C)cc3)nc2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP4A11 Q02928 2/20 0.44
CYP4F2 P78329 1/20 0.43
GLS O94925 1/20 0.41
FAAH O00519 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
HPGD P15428 2/20 0.37
CYP2C19 P33261 2/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL9754030 0.82 ALOX5 (0.44) MEN1KMT2A
SCHEMBL9754095 0.78 LMNA (0.43) MAPTALDH1A1KDM4EMEN1LMNA
SCHEMBL25146751 0.75 LOXL2 (0.56) MAPTCYP4A11CYP4F2LOXL2RAB9A
SCHEMBL765010 0.74 LOXL2 (0.61) MAPTMEN1LMNAKMT2ACYP4A11
SCHEMBL27525241 0.70 MAPT (0.59) MAPTMEN1GAAKMT2ACYP4A11
SCHEMBL9754150 0.69 ALOX5 (0.48) MAPTKDM4EKMT2A
SCHEMBL3234965 0.69 MAPT (0.60) MAPTCYP4A11CYP4F2SMN1; SMN2TP53
SCHEMBL10169575 0.69 CYP4A11 (0.68) MAPTALDH1A1MEN1LMNAGAA
SCHEMBL8121457 0.66 PTPN1 (0.55) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL9339199 0.66 DHFR (0.54) MAPTALDH1A1KDM4EMEN1LMNA

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-1991008744-A1 THIAZOLE LIPOXYGENASE-INHIBITING COMPOUNDS DERIVED FROM NON-STEROIDAL ANTIINFLAMMATORY CARBOXYLIC ACIDS ABBOTT LABORATORIES (US) 1991-06-27 WO disclosed