SCHEMBL21319702

SCHEMBL21319702

C/C=C(/C)C(=O)OC(=O)c1c(Cl)cc(C)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.31
MEN1 O00255 2/20 0.31
KDM4E B2RXH2 2/20 0.31
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL435037 0.88 KMT2A (0.44) KMT2ALMNAMAPTTSHRALDH1A1
SCHEMBL435036 0.88 KMT2A (0.44) KMT2ALMNAMAPTTSHRALDH1A1
SCHEMBL10129753 0.72 TSHR (0.47) KMT2ALMNAMAPTTSHRALDH1A1
SCHEMBL14339400 0.69 KMT2A (0.42) KMT2ALMNAMAPTTSHRALDH1A1
SCHEMBL493850 0.69 MAPT (0.45) KMT2ALMNAMAPTTSHRALDH1A1
SCHEMBL17056905 0.69 TSHR (0.53) KMT2ALMNAMAPTTSHRALDH1A1
Phosphine SCHEMBL28141622 0.67 SMN1; SMN2 (0.35) KMT2ALMNAMAPTTSHRALDH1A1
SCHEMBL432665 0.66 ALDH1A1 (0.39) LMNATSHRALDH1A1
SCHEMBL432664 0.66 ALDH1A1 (0.39) LMNATSHRALDH1A1
SCHEMBL15101930 0.66 ALDH1A1 (0.39) LMNATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640236-A1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2020-04-22 EP disclosed
EP-2595948-B1 A METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LTD (IE) 2019-09-04 EP disclosed