SCHEMBL8157751

SCHEMBL8157751

COC(=O)c1cccc2cc(Oc3cc4c(cc3Br)C(C)(C)CCC4(C)C)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.49
KDR P35968 17/20 0.46
AURKA O14965 14/20 0.46
MET P08581 14/20 0.46
TEK Q02763 14/20 0.46
AURKB Q96GD4 10/20 0.46
LCK P06239 10/20 0.46
LYN P07948 3/20 0.40
ABL1 P00519 2/20 0.40
FGR P09769 1/20 0.40
FGFR1 P11362 3/20 0.40
FLT1 P17948 2/20 0.40
FGFR2 P21802 2/20 0.40
FLT4 P35916 2/20 0.40
PDXK O00764 1/20 0.40
RIPK2 O43353 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR3 P22607 1/20 0.40
DDR1 Q08345 1/20 0.40

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
SCHEMBL8164387 0.89 RXRA (0.46) KDRAURKAMETTEKAURKB
SCHEMBL8165775 0.88 RXRA (0.53) PDE4BKDRAURKAMETTEK
SCHEMBL8158825 0.85 PDE4B (0.56) PDE4BKDRAURKAMETTEK
SCHEMBL8014653 0.78 RXRA (0.55) RXRA
SCHEMBL8170768 0.77 RXRA (0.61) KDRAURKAMETTEKAURKB
SCHEMBL8165528 0.76 PDE4B (0.43) PDE4BKDRAURKAMETTEK
SCHEMBL6372600 0.74 RXRA (0.60) RXRA
SCHEMBL8165505 0.74 RXRA (0.60) PDE4BRXRA
SCHEMBL2237855 0.73 MTNR1A (0.56) PDE4BKDRAURKAMETTEK
SCHEMBL8165276 0.73 RXRA (0.52) PDE4BKDRAURKAMETTEK

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-6156750-A Bioactive bicyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-05 US disclosed
US-5985928-A HUMAN OR VETERINARY MEDICINE FOR EXAMPLE DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-11-16 US disclosed
US-5763487-A SKIN DISORDERS, CARDIOVASCULAR DISORDERS AND COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-06-09 US disclosed
EP-0722928-B1 Bicyclic-aromatic compounds with strong biologic activity, pharmaceutical and cosmetic compositions containing them and uses thereof CIRD GALDERMA (FR) 1997-08-06 EP disclosed
EP-0722928-A1 Bicyclic-aromatic compounds with strong biologic activity, pharmaceutical and cosmetic compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1996-07-24 EP disclosed