SCHEMBL7597304

SCHEMBL7597304

COC(=O)C(OC(C)=O)C(C)C=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 1/20 0.34
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
CA14 Q9ULX7 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ABCB1 P08183 1/20 0.31
CA12 O43570 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL7596263 0.84 SMN1; SMN2 (0.34) SMN1; SMN2KMT2ACA14ABCB1CA12
SCHEMBL7591223 0.81 ALDH1A1 (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10011167 0.80 ALDH1A1 (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6443475 0.80 ALDH1A1 (0.35) TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL7589385 0.79 TSHR (0.35) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7593534 0.79 ABCB1 (0.35) SMN1; SMN2KMT2AABCB1
SCHEMBL27436943 0.79 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7590972 0.78 HCAR2 (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL12156942 0.77 ALDH1A1 (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5666034 0.77 ALDH1A1 (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11152280-A None JP disclosed
CN-1116267-C Process for producing branched aldehydes KURARAY CO (JP) 2003-07-30 CN disclosed
EP-0867427-B1 Process for producing branched aldehydes KURARAY CO (JP) 2002-11-06 EP disclosed
US-5932761-A Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1999-08-03 US disclosed
JP-H11152280-A PREPARATION OF 3-METHYL-4-HYDROXY-2-BUTENOLIDE KURARAY CO LTD 1999-06-08 JP disclosed
CN-1197788-A Process for producing branched aldehydes KURARAY CO (JP) 1998-11-04 CN disclosed
EP-0867427-A1 Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1998-09-30 EP disclosed