SCHEMBL11037656

SCHEMBL11037656

CCC(C=CC=CCOC(C)=O)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.35
SOAT1 P35610 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 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
SCHEMBL11037655 1.00 SOAT2 (0.35) SOAT2SOAT1ALDH1A1LMNAHSD17B10
SCHEMBL10953133 0.87 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10TDP1ALOX15
SCHEMBL10953136 0.87 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10TDP1ALOX15
SCHEMBL11039206 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TDP1ALOX15
SCHEMBL11039208 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TDP1ALOX15
SCHEMBL7667132 0.76 TSHR (0.36) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL7667124 0.76 TSHR (0.36) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL4941860 0.75 MEN1 (0.49) LMNATRPV1MEN1KMT2A
SCHEMBL4941857 0.75 MEN1 (0.49) LMNATRPV1MEN1KMT2A
SCHEMBL10385908 0.75 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10ALOX15TSHR

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
US-4468525-A Preparation of diacyloxyhexadienes from hexatrienes BASF AKTIENGESELLSCHAFT (DE) 1984-08-28 US disclosed
EP-0046496-B1 PROCESS FOR THE PREPARATION OF DIACYLOXYHEXADIENES FROM HEXATRIENES, AND THE CORRESPONDING DIACYLOXYHEXADIENES BASF Aktiengesellschaft (DE) 1983-08-31 EP disclosed
EP-0046496-A1 Process for the preparation of diacyloxyhexadienes from hexatrienes, and the corresponding diacyloxyhexadienes BASF Aktiengesellschaft (DE) 1982-03-03 EP disclosed