SCHEMBL7929431

SCHEMBL7929431

CC(=O)c1ccc(C(=O)N(C(C)C)C(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 5/20 0.42
P4HA1 P13674 1/20 0.42
MIF P14174 1/20 0.42
MAPK1 P28482 2/20 0.41
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 2/20 0.40
MCOLN3 Q8TDD5 2/20 0.40
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNJ1 P48048 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RIPK1 Q13546 1/20 0.36
MEN1 O00255 1/20 0.35
AHR P35869 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL209464 0.81 P4HTM (0.46) P4HTMP4HA1MIFMAPK1POLB
SCHEMBL30269694 0.78 P4HTM (0.54) P4HTMP4HA1MIFMAPK1POLB
SCHEMBL5365695 0.78 P4HTM (0.54) P4HTMP4HA1MIFMAPK1POLB
SCHEMBL16185858 0.77 P4HTM (0.46) P4HTMP4HA1MIFMAPK1POLB
SCHEMBL1585449 0.74 P4HTM (0.73) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL3883131 0.74 KMT2A (0.57) MAPK1POLBKDM4ELMNAKMT2A
SCHEMBL4600085 0.73 KMT2A (0.50) P4HTMP4HA1MIFMAPK1POLB
SCHEMBL8404723 0.73 P4HTM (0.48) P4HTMP4HA1MIFMAPK1POLB
SCHEMBL31473426 0.72 HCAR3 (0.47) P4HTMMAPK1POLBPKMNPSR1
SCHEMBL10726188 0.71 GABRP (0.55) POLBPKMNPSR1HPGDMCOLN3

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-0879223-B1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS CT EUROP DE BIOPROSPECTIVE CEB (FR) 2001-11-07 EP disclosed
US-6265423-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE EUROPEEN DE BIOPROSPECTIVE-CEB (FR) 2001-07-24 US disclosed
EP-0879223-A1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS Centre Europeen de Bioprospective -CEB (FR) 1998-11-25 EP disclosed
WO-1997026237-A1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS CENTRE EUROPEEN DE BIOPROSPECTIVE - CEB (FR) 1997-07-24 WO disclosed