SCHEMBL31477154

SCHEMBL31477154

Cc1ccc(CC=O)cc1C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.40
PTGS1 P23219 10/20 0.40
AKR1C3 P42330 3/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
AKR1C2 P52895 2/20 0.40
ALB P02768 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX5 P09917 1/20 0.40
RARB P10826 1/20 0.40
ADRB3 P13945 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR2A P28223 1/20 0.40
NR1I3 Q14994 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
CXCL8 P10145 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL7152600 0.75 LMNA (0.44) PTGS2PTGS1AKR1C3LMNAAKR1C2
SCHEMBL3670597 0.75 LMNA (0.44) PTGS2PTGS1AKR1C3LMNAAKR1C2
SCHEMBL7146617 0.75 LMNA (0.44) PTGS2PTGS1AKR1C3LMNAAKR1C2
SCHEMBL694753 0.74 PTGS2 (0.65) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL31422536 0.73 AKR1C3 (0.46) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL24875342 0.73 AKR1C3 (0.44) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL3051853 0.73 TSHR (0.50) PTGS2PTGS1AKR1C3LMNAAKR1C2
SCHEMBL3180180 0.73 TDP1 (0.40) PTGS2PTGS1AKR1C3LMNAAKR1C2
SCHEMBL3169710 0.73 TDP1 (0.40) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL694929 0.72 PTGS2 (0.56) PTGS2PTGS1AKR1C3LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085564-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
WO-2025085554-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed