SCHEMBL7590972

SCHEMBL7590972

CCCOC(=O)C(OC(C)=O)C(C)C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
TSHR P16473 3/20 0.35
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 3/20 0.34
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.33
ATM Q13315 1/20 0.32
FAAH O00519 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.30
ALOX15 P16050 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSH P09668 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
SCHEMBL7590049 0.90 ALDH1A1 (0.48) HCAR2TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL7591223 0.86 ALDH1A1 (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7595502 0.85 HCAR2 (0.37) HCAR2TSHRALDH1A1LMNAATM
SCHEMBL7597304 0.78 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7594841 0.76 ATM (0.44) HCAR2TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL7589385 0.74 TSHR (0.35) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7594775 0.73 ALDH1A1 (0.56) HCAR2TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL23375328 0.73 HCAR2 (0.43) HCAR2TSHRCHRM1ALDH1A1SMN1; SMN2
SCHEMBL243205 0.72 ALDH1A1 (0.61) HCAR2TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL19146395 0.71 ALDH1A1 (0.55) HCAR2TSHRALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0867427-A1 Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1998-09-30 EP disclosed