SCHEMBL7929310

SCHEMBL7929310

CCOCOCc1ccc(-c2ccccc2C=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ERN1 O75460 4/20 0.35
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
ALDH1A1 P00352 2/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
AGTR1 P30556 1/20 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
SCHEMBL7922731 0.86 XDH (0.38) XDHLMNASMN1; SMN2NPC1MAPT
SCHEMBL7922790 0.83 PTGER1 (0.34) FFAR1FFAR4TSHR
SCHEMBL7922795 0.83 PTGER1 (0.34) FFAR1FFAR4TSHR
SCHEMBL7922724 0.77 XDH (0.37) XDHLMNASMN1; SMN2ERN1DRD2
SCHEMBL12147162 0.76 IDO1 (0.52) LMNANPC1RAB9AFFAR1HTT
SCHEMBL6284038 0.75 XDH (0.45) XDHLMNASMN1; SMN2NPC1MAPT
SCHEMBL28440985 0.75 HSP90AB1 (0.44) XDHLMNASMN1; SMN2MAPTRAB9A
SCHEMBL28009606 0.74 ERN1 (0.49) XDHLMNASMN1; SMN2NPC1MAPT
SCHEMBL23906770 0.74 TSHR (0.42) THRBTDP1TSHR
SCHEMBL11768743 0.74 LMNA (0.60) XDHLMNASMN1; SMN2ERN1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 EP disclosed
US-6150413-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-11-21 US disclosed
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 EP disclosed