SCHEMBL9396258

SCHEMBL9396258

CC(O)=C(C#N)C(=O)NC1(C(=O)O)CC2CCC1C2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.32
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30
BTK Q06187 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PLK3 Q9H4B4 1/20 0.30

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
SCHEMBL10145336 0.72 CHRNB2 (0.35) ALDH1A1CYP3A4PKMLMNA
SCHEMBL9396255 0.70 DHODH (0.32) DHODH
SCHEMBL9447855 0.69 MEN1 (0.43) MEN1ALDH1A1KMT2AGAABTK
SCHEMBL13252222 0.66 CHRNB2 (0.31) ALDH1A1CYP3A4PKMLMNA
SCHEMBL9457523 0.64 DPP4 (0.33) ALDH1A1
SCHEMBL9457850 0.63 ALDH1A1 (0.44) ALDH1A1CYP1A2GAATSHR
SCHEMBL2788151 0.61 HPGD (0.40) MEN1ALDH1A1KMT2AGAATSHR
SCHEMBL28821929 0.60 HSD11B1 (0.40)
SCHEMBL76705 0.60 HSD11B1 (0.36) LMNABLMNPSR1
SCHEMBL2761577 0.59 HSD11B1 (0.38) PKM

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-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 WO disclosed