SCHEMBL7900604

SCHEMBL7900604

COc1ccc(C(=O)CC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.57
P2RX7 Q99572 3/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
GSK3B P49841 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL14648365 0.83 GPR55 (0.50) P2RX7MEN1KMT2AALDH1A1MMP2
SCHEMBL7900490 0.81 CNR2 (0.53) CNR2P2RX7MEN1KMT2AALDH1A1
SCHEMBL28093665 0.79 P2RX7 (0.61) CNR2P2RX7MEN1KMT2AALDH1A1
SCHEMBL8581921 0.78 CNR2 (0.63) CNR2P2RX7MEN1KMT2AALDH1A1
SCHEMBL14086740 0.76 ALDH1A1 (0.62) CNR2P2RX7MEN1KMT2AALDH1A1
SCHEMBL29171626 0.76 PTPN1 (0.53) P2RX7MEN1KMT2AALDH1A1
SCHEMBL10631943 0.75 HSD11B1 (0.54) P2RX7MEN1KMT2AHSD11B1
SCHEMBL4598647 0.74 CNR2 (0.58) CNR2P2RX7MEN1KMT2AALDH1A1
SCHEMBL10914317 0.72 MMP2 (0.48) MEN1KMT2AALDH1A1MMP2MMP9
SCHEMBL1397704 0.72 P2RX7 (0.53) CNR2P2RX7MEN1KMT2AALDH1A1

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
US-6194450-B1 KERATINIZATION DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2001-02-27 US disclosed
US-5849798-A Polyaromatic heterocyclic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-12-15 US disclosed
EP-0732328-B1 Aromatic heterocyclic compounds, pharmaceutical and cosmetic compositions containing them and their uses CIRD GALDERMA (FR) 1998-09-09 EP disclosed
EP-0732328-A1 Aromatic heterocyclic compounds, pharmaceutical and cosmetic compositions containing them and their uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1996-09-18 EP disclosed