SCHEMBL9957516

SCHEMBL9957516

CCc1[nH]c(C)c(C(=O)Cl)c1C

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.69
HPGD P15428 1/20 0.38
LMNA P02545 5/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 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
SCHEMBL11649419 0.82 HSD17B10 (1.00) HSD17B10HPGDLMNAALDH1A1MAPK1
SCHEMBL9956809 0.78 HSD17B10 (0.43) HSD17B10HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL11646460 0.77 HPGD (0.66) HSD17B10HPGDLMNAALDH1A1MAPK1
SCHEMBL9956088 0.77 HSD17B10 (0.42) HSD17B10HPGDLMNAMAPK1CYP1A2
SCHEMBL9956376 0.77 HSD17B10 (0.42) HSD17B10HPGDLMNAALDH1A1MAPT
SCHEMBL10058644 0.69 HSD17B10 (0.71) HSD17B10HPGDLMNAALDH1A1MAPK1
SCHEMBL13303521 0.69 ALDH1A1 (0.39) HSD17B10HPGDLMNAALDH1A1CYP1A2
SCHEMBL11649230 0.68 HSD17B10 (0.52) HSD17B10LMNACYP1A2HCAR2
SCHEMBL11645948 0.67 HSD17B10 (0.72) HSD17B10HPGDLMNAALDH1A1MAPK1
SCHEMBL11647887 0.67 HPGD (0.53) HSD17B10HPGDLMNAALDH1A1MAPK1

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