SCHEMBL9870720

SCHEMBL9870720

CC(Cc1ccc(C(C)C)cc1)C(=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.49
PTGS2 P35354 4/20 0.49
CYP2C9 P11712 3/20 0.49
LMNA P02545 2/20 0.49
AKR1C3 P42330 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
ALB P02768 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX5 P09917 1/20 0.49
RARB P10826 1/20 0.49
ADRB3 P13945 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2A P28223 1/20 0.49
NR1I3 Q14994 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
CXCL8 P10145 1/20 0.49
TSHR P16473 1/20 0.49
AKR1C2 P52895 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL27480611 0.85 PTGS1 (0.56) PTGS1PTGS2CYP2C9LMNAAKR1C3
SCHEMBL9311732 0.85 PTGS1 (0.56) PTGS1PTGS2CYP2C9LMNAAKR1C3
SCHEMBL27473580 0.85 PTGS1 (0.56) PTGS1PTGS2CYP2C9LMNAAKR1C3
SCHEMBL3389880 0.82 HPGD (0.61) PTGS1LMNATSHRMEN1KMT2A
SCHEMBL29012833 0.82 ACACB (0.49) PTGS1PTGS2CYP2C9LMNAAKR1C3
SCHEMBL16474009 0.81 TRPA1 (0.50) CYP2C9KMT2AHPGD
SCHEMBL24884687 0.80 PTGS1 (0.51) PTGS1PTGS2CYP2C9LMNAAKR1C3
SCHEMBL15822655 0.79 ACACB (0.46) PTGS1PTGS2CYP2C9LMNAAKR1C3
SCHEMBL14672779 0.79 EPHX1 (0.58) PTGS1PTGS2CYP2C9LMNAAKR1C3
SCHEMBL10878052 0.79 PTGS1 (0.58) PTGS1PTGS2CYP2C9LMNAAKR1C3

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
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 US disclosed