SCHEMBL9577430

SCHEMBL9577430

CC(C)(C(=O)C(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
SSTR4 P31391 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
AKR1C2 P52895 2/20 0.39
AKR1C3 P42330 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SRD5A2 P31213 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
AKR1C1 Q04828 1/20 0.36

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
SCHEMBL1626481 0.85 AKR1C3 (0.51) TSHRSSTR4CYP2C19HDAC3HDAC1
SCHEMBL602699 0.81 TSHR (0.48) TSHRSSTR4CYP2C19HDAC3HDAC1
SCHEMBL1627092 0.81 TSHR (0.48) TSHRSSTR4CYP2C19HDAC3HDAC1
SCHEMBL8443184 0.79 KMT2A (0.52) TSHRSSTR4CYP2C19HDAC3HDAC1
SCHEMBL6671431 0.79 KMT2A (0.50) TSHRCYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL6671026 0.77 CES2 (0.40) SMN1; SMN2KMT2ANPC1RAB9ACYP19A1
SCHEMBL6670810 0.76 KIF11 (0.42) CYP2C19SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1627157 0.76 CNR1 (0.51) TSHRSSTR4CYP2C19HDAC3HDAC1
SCHEMBL30443832 0.76 TSHR (0.44) TSHRSSTR4HDAC3HDAC1HDAC2
SCHEMBL2348384 0.76 TSHR (0.47) TSHRSSTR4CYP2C19HDAC3HDAC1

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-0407588-B1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEM RES (JP) 1993-12-08 EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 EP disclosed