SCHEMBL9960918

SCHEMBL9960918

Cc1[nH]c2cccc(C3=CC(O)c4ccccc43)c2c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.35
RAB9A P51151 6/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
MITF O75030 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 6/20 0.34
NPC1 O15118 4/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 3/20 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
SCHEMBL9961005 0.75 MAP3K5 (0.36) KMT2AALDH1A1MAPTMEN1CYP1A2
SCHEMBL9960649 0.73 MYC (0.33) RAB9AKMT2AALDH1A1MAPTMEN1
SCHEMBL9960813 0.72 MYC (0.44) NR4A2RAB9AKMT2AALDH1A1LMNA
SCHEMBL9960870 0.72 CCNC (0.33) HTT
SCHEMBL9960677 0.72 ELANE (0.34) RAB9AKMT2AALDH1A1NPSR1MAPT
SCHEMBL9960847 0.71 ALDH1A1 (0.44) KMT2AALDH1A1MAPTMEN1CYP1A2
SCHEMBL9960591 0.71 KMT2A (0.33) NR4A2RAB9AKMT2AALDH1A1LMNA
SCHEMBL9960566 0.71 MYC (0.34) RAB9AKMT2AALDH1A1LMNAMAPT
SCHEMBL9960991 0.70 L3MBTL1 (0.34) KMT2AALDH1A1LMNAMEN1CYP1A2
SCHEMBL2457029 0.70 ALDH1A1 (0.43) NR4A2RAB9AKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858629-A1 A TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE Leo Laboratories Limited (IE) 2015-04-15 EP disclosed
WO-2013182688-A1 A TOPICAL GEL COMPOSITION COMPRISING AN INGENOL DERIVATIVE AND A SOLVENT MIXTURE LEO LABORATORIES LIMITED (IE) 2013-12-12 WO disclosed
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