SCHEMBL9955516

SCHEMBL9955516

COCCc1[nH]c(C)c(C(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.43
LMNA P02545 4/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL9956376 0.85 HSD17B10 (0.42) ALDH1A1HSD17B10LMNAMAPTNPSR1
SCHEMBL5518084 0.79 HSD17B10 (0.46) ALDH1A1HSD17B10LMNAMAPTNPSR1
SCHEMBL16417100 0.71 NOTUM (0.50) LMNAHCAR2
SCHEMBL15570393 0.71 HCAR2 (0.40) ALDH1A1HSD17B10LMNAHCAR2MAPT
SCHEMBL13173703 0.70 ALDH1A1 (0.50) ALDH1A1HSD17B10LMNAMAPTNPSR1
SCHEMBL9957167 0.69 HSD17B10 (0.43) ALDH1A1HSD17B10LMNAMAPTNPSR1
SCHEMBL11584471 0.68 ALDH1A1 (0.52) ALDH1A1HSD17B10LMNANPSR1HPGD
SCHEMBL5612429 0.66 HCAR2 (0.40) ALDH1A1HSD17B10LMNAHCAR2
SCHEMBL11645948 0.66 HSD17B10 (0.72) ALDH1A1HSD17B10LMNAMAPTNPSR1
SCHEMBL8207134 0.66 HCAR2 (0.37) ALDH1A1HSD17B10LMNAHCAR2HPGD

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-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO disclosed