SCHEMBL30780902

SCHEMBL30780902

C=C(C)Cc1ccc(NC(C)=O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CA12 O43570 1/20 0.46
BRD4 O60885 1/20 0.46
NR1I2 O75469 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MB P02144 1/20 0.46
CYP1A1 P04798 1/20 0.46
CA3 P07451 1/20 0.46
CYP3A4 P08684 1/20 0.46
RARG P13631 1/20 0.46
TSHR P16473 1/20 0.46
ALOX5AP P20292 1/20 0.46
CA4 P22748 1/20 0.46

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
SCHEMBL2855498 0.83 POLB (0.63) POLBPKMSMN1; SMN2MEN1MAPT
SCHEMBL4983137 0.79 POLB (0.51) POLBPKMSMN1; SMN2MEN1MAPT
SCHEMBL21438694 0.79 POLB (0.51) POLBPKMSMN1; SMN2MEN1MAPT
SCHEMBL6402141 0.79 POLB (0.58) POLBPKMSMN1; SMN2MEN1MAPT
SCHEMBL1092347 0.78 PKM (0.51) POLBPKMMEN1MAPTKMT2A
SCHEMBL29939067 0.77 POLB (0.53) POLBPKMSMN1; SMN2MEN1MAPT
SCHEMBL9582949 0.77 POLB (0.53) POLBPKMSMN1; SMN2MEN1MAPT
SCHEMBL27389402 0.77 PKM (0.61) POLBPKMSMN1; SMN2MEN1KMT2A
SCHEMBL8590962 0.76 TYR (0.56) POLBPKMSMN1; SMN2MEN1MAPT
SCHEMBL28627643 0.75 EGFR (0.57) POLBPKMSMN1; SMN2MEN1MAPT

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-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed