SCHEMBL9956376

SCHEMBL9956376

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
MAPT P10636 5/20 0.38
POLB P06746 4/20 0.36
LMNA P02545 5/20 0.35
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL9955516 0.85 ALDH1A1 (0.46) HSD17B10MAPTPOLBLMNAALDH1A1
SCHEMBL9957516 0.77 HSD17B10 (0.69) HSD17B10MAPTPOLBLMNAALDH1A1
SCHEMBL9956809 0.71 HSD17B10 (0.43) HSD17B10MAPTALDH1A1NPSR1HPGD
SCHEMBL13303521 0.63 ALDH1A1 (0.39) HSD17B10MAPTPOLBLMNAALDH1A1
SCHEMBL11645883 0.63 HSD17B10 (0.65) HSD17B10MAPTPOLBLMNAALDH1A1
SCHEMBL5518084 0.63 HSD17B10 (0.46) HSD17B10MAPTPOLBLMNAALDH1A1
SCHEMBL8203697 0.62 HPGD (0.59) MAPTPOLBLMNAALDH1A1NPC1
SCHEMBL1126546 0.60 HPGD (0.64) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL16417100 0.60 NOTUM (0.50) LMNA
SCHEMBL11646460 0.60 HPGD (0.66) HSD17B10MAPTPOLBLMNAALDH1A1

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