SCHEMBL7683200

SCHEMBL7683200

CC(C=Cc1ccc2cc(O)c(C34CC5CC(CC(C5)C3)C4)cc2c1)=CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
THRB P10828 1/20 0.53
RECQL P46063 1/20 0.53
NR2E1 Q9Y466 1/20 0.53
PTPN11 Q06124 6/20 0.49
NR0B2 Q15466 3/20 0.49
RARA P10276 3/20 0.49
RARG P13631 3/20 0.49
HDAC11 Q96DB2 3/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL7683195 1.00 RARB (0.53) RARBMEN1KMT2ATHRBRECQL
SCHEMBL7683191 1.00 RARB (0.53) RARBMEN1KMT2ATHRBRECQL
SCHEMBL7687890 0.87 HDAC11 (0.50) RARBMEN1KMT2APTPN11NR0B2
SCHEMBL7687885 0.87 HDAC11 (0.50) RARBMEN1KMT2APTPN11NR0B2
SCHEMBL7687887 0.87 HDAC11 (0.50) RARBMEN1KMT2APTPN11NR0B2
SCHEMBL7683146 0.86 MEN1 (0.45) RARBMEN1KMT2ATHRBRECQL
SCHEMBL7683152 0.86 MEN1 (0.45) RARBMEN1KMT2ATHRBRECQL
SCHEMBL7683142 0.86 MEN1 (0.45) RARBMEN1KMT2ATHRBRECQL
SCHEMBL7685292 0.83 HDAC11 (0.44) RARBMEN1KMT2APTPN11NR0B2
SCHEMBL7685282 0.83 HDAC11 (0.44) RARBMEN1KMT2APTPN11NR0B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37947-E1 Aromatic polyenic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2002-12-31 US claimed
EP-0679628-B1 Polyene derivatives, pharmaceutical and cosmetic composition containing them and their use CIRD GALDERMA (FR) 1998-04-22 EP claimed
US-5705167-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-06 US claimed
US-RE37947-E1 Aromatic polyenic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2002-12-31 US disclosed
US-5705167-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-06 US disclosed