SCHEMBL6152555

SCHEMBL6152555

C=CCOC(=O)Oc1cccc(OC(=O)OCC=C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ACHE P22303 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APP P05067 1/20 0.39
CASP1 P29466 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FGFR1 P11362 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL16007676 0.92 LMNA (0.46) CYP3A4LMNA
SCHEMBL14775358 0.89 LMNA (0.54) CYP3A4KMT2AMEN1HSD17B10GAA
SCHEMBL2127295 0.89 CYP3A4 (0.46) CYP3A4KMT2AMEN1ALDH1A1TSHR
SCHEMBL27715312 0.88 CYP3A4 (0.45) CYP3A4
SCHEMBL545547 0.87 CYP3A4 (0.55) CYP3A4KMT2AMEN1ALDH1A1TSHR
SCHEMBL7946937 0.86 CYP3A4 (0.44) CYP3A4KMT2AMEN1ALDH1A1TSHR
Bicarbonate SCHEMBL23748029 0.86 CYP3A4 (0.53) CYP3A4KMT2AMEN1ALDH1A1TSHR
Formaldehyde SCHEMBL28598678 0.86 CYP3A4 (0.53) CYP3A4KMT2AMEN1ALDH1A1TSHR
SCHEMBL28222134 0.85 CYP3A4 (0.43) CYP3A4KMT2AMEN1ALDH1A1TSHR
SCHEMBL28724633 0.85 LMNA (0.52) CYP3A4ALDH1A1TSHRKDM4ERAB9A

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
EP-0187958-A2 Resin for information recording medium TORAY INDUSTRIES, INC. (JP) 1986-07-23 EP claimed
EP-1196466-B1 POLYMERIZABLE COMPOSITION OF ALIPHATIC POLYOL (ALLYL CARBONATE) PPG IND OHIO INC (US) 2005-01-26 EP disclosed
US-6316570-B1 FOR PRODUCING POLYMERIZATES HAVING CLARITY, GOOD FLEXIBILITY, ABRASION RESISTANCE WHICH ARE USED IN PREPARATION OF MOLDED ARTICLES SUCH AS LENSES PPG INDUSTRIES OHIO, INC. 2001-11-13 US disclosed
EP-0187958-A2 Resin for information recording medium TORAY INDUSTRIES, INC. (JP) 1986-07-23 EP disclosed