SCHEMBL10470997

SCHEMBL10470997

C#CC(C)C(O)c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
POLB P06746 4/20 0.41
PKM P14618 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN7 P35236 1/20 0.41
BLM P54132 1/20 0.41
ESR2 Q92731 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 1/20 0.39
AGTR1 P30556 1/20 0.38
HSD17B10 Q99714 3/20 0.36
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL27728696 0.79 KMT2A (0.50) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL15272327 0.78 KMT2A (0.58) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL11151822 0.78 KMT2A (0.58) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL15272598 0.78 KMT2A (0.58) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL10147174 0.77 KMT2A (0.48) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL6971969 0.75
SCHEMBL14944873 0.74 KDM4E (0.48) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL21029965 0.74 KMT2A (0.45) KMT2APOLBPKMPTPN1PTPN7
Dimethylamine SCHEMBL28482440 0.72 KMT2A (0.44) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL10442620 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4958033-A ACETYLENIC, CARBONYL COMPOUND OR OXIRANE, PROPARGYL HALIDE, MAGNESIUM, ZINC OR ITS HALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-09-18 US disclosed
EP-0113107-B1 PROCESS FOR PREPARING ALCOHOLS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-07 EP disclosed
US-4496586-A Cyclopropanecarboxylates, their production and insecticide containing them as an active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-01-29 US disclosed
EP-0050454-B1 NEW CYCLOPROPANECARBOXYLATES, THEIR PRODUCTION AND INSECTICIDE CONTAINING THEM AS AN ACTIVE INGREDIENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-29 EP disclosed
EP-0113107-A2 Process for preparing alcohols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-07-11 EP disclosed
EP-0050454-A1 New cyclopropanecarboxylates, their production and insecticide containing them as an active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-28 EP disclosed