SCHEMBL20052097

SCHEMBL20052097

CC(C)(C)Cc1cc(C=O)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.42
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 6/20 0.39
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PTGS2 P35354 2/20 0.35
PTPN1 P18031 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
TRIM24 O15164 2/20 0.34
TRIM33 Q9UPN9 2/20 0.34
PTPN2 P17706 1/20 0.34
PTPN6 P29350 1/20 0.34
FOLH1 Q04609 1/20 0.34
DCLRE1A Q6PJP8 1/20 0.34
DCLRE1B Q9H816 1/20 0.34

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
SCHEMBL9517755 0.83 UNG (0.47) UNGRAB9ANPC1CYP2C9NPSR1
SCHEMBL1618045 0.80 TDP1 (0.46) POLBKDM4EPTGS2PTPN1TDP1
SCHEMBL8159674 0.77 ALDH1A1 (0.45) UNGRAB9ANPC1CYP2C9NPSR1
Ethylene SCHEMBL9718947 0.77 TDP1 (0.44) POLBKDM4EPTGS2PTPN1THRA
SCHEMBL11150860 0.76 GABRP (0.49) UNGRAB9ANPC1CYP2C9NPSR1
SCHEMBL15563141 0.76 ALDH1A1 (0.44) UNGRAB9ANPC1CYP2C9NPSR1
SCHEMBL30589393 0.73 ALDH1A1 (0.52) UNGRAB9ANPC1CYP2C9NPSR1
SCHEMBL4613992 0.73 ALDH1A1 (0.52) UNGRAB9ANPC1CYP2C9NPSR1
SCHEMBL8388098 0.72 UNG (0.40) UNGRAB9ANPC1CYP2C9NPSR1
SCHEMBL5048768 0.72 FOLH1 (0.53) CYP2C9ALDH1A1KDM4EFOLH1HPGD

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-9943603-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2018-04-17 US disclosed