SCHEMBL8519916

SCHEMBL8519916

C=CCOC(=O)c1c(Cl)c(C(=O)O)c(C(=O)O)c(Cl)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
RHOA P61586 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SNCA P37840 1/20 0.36
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1D Q01668 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL11044588 0.95 CYP3A4 (0.44) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL1250345 0.86 CYP3A4 (0.50) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL7171555 0.85 CYP3A4 (0.40) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL28480264 0.84 CYP3A4 (0.52) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL30259412 0.84 CYP3A4 (0.52) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL10790238 0.84 CYP3A4 (0.52) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL10778176 0.84 CYP3A4 (0.52) CYP3A4TSHRALDH1A1HSD17B10RHOA
Methane SCHEMBL11118720 0.82 CYP3A4 (0.50) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL7631407 0.80 CYP3A4 (0.59) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL28073815 0.79 CYP3A4 (0.47) CYP3A4TSHRALDH1A1HSD17B10RHOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962113-A POLYSILOXANE-AMIDE INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1999-10-05 US claimed
US-5883219-A COMPRISING SUBSTRATE, METALLIC CIRCUIT LINES POSITIONED ON SUBSTRATE, AND POROUS DIELECTRIC MATERIAL POSITIONED ON THE CIRCUIT LINES; THE DIELECTRIC MATERIAL COMPRISES THE REACTION PRODUCT OF AN ORGANIC POLYSILICA AND POLYAMIC ESTER INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1999-03-16 US claimed
EP-0838853-A2 Integrated circuit device and process for its manufacture INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1998-04-29 EP claimed
EP-0838853-A2 Integrated circuit device and process for its manufacture INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1998-04-29 EP disclosed