SCHEMBL9029982

SCHEMBL9029982

COc1ccc(NC(=O)C(C)(C)CCCOc2ccc3c(c2)C=C(c2nccn2C)C(CCc2ccc(F)cc2F)O3)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.36
SHMT2 P34897 1/20 0.35
ALOX15 P16050 3/20 0.32
TSHR P16473 3/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ACAT1 P24752 1/20 0.32
SOAT1 P35610 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9030393 0.93 MEN1 (0.38) CHEK1SHMT2ALOX15TSHRMAPT
SCHEMBL9029741 0.89 KMT2A (0.38) SHMT2TSHRMAPTCYP3A4MEN1
SCHEMBL9029914 0.88 HTR2A (0.32) PPARG
SCHEMBL9031163 0.88 PPARG (0.37) PPARG
SCHEMBL9030559 0.86
SCHEMBL9030533 0.84 PPARG (0.33) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9678373 0.83 HTR2A (0.32)
SCHEMBL9029661 0.83 KDM4E (0.41) ALOX15TSHRMAPTTP53CYP3A4
SCHEMBL9030164 0.82 ALOX5 (0.34) PPARG
SCHEMBL9029711 0.79 PPARG (0.36) PPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP claimed
EP-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP disclosed
US-5356920-A Anticholesterol, antilipemic agent FARMITALIA CARLO ERBA SRL. (IT) 1994-10-18 US disclosed