SCHEMBL7717609

SCHEMBL7717609

CCCCCCOc1ccc(Br)cc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.56
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
USP2 O75604 1/20 0.43
ALPL P05186 1/20 0.43
ALOX15 P16050 1/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
S1PR1 P21453 1/20 0.41

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
SCHEMBL7717554 0.89 PTGDR2 (0.60) PTGDR2THRATHRBSMN1; SMN2NPSR1
SCHEMBL2950931 0.86 S1PR1 (0.55) PTGDR2THRATHRBSMN1; SMN2NPSR1
SCHEMBL12433812 0.84 THRA (0.55) THRATHRBLMNAHTTMAPK1
SCHEMBL7456145 0.83 THRA (0.54) THRATHRBSMN1; SMN2NPSR1LMNA
SCHEMBL29840690 0.82 SMN1; SMN2 (0.52) THRATHRBSMN1; SMN2NPSR1CYSLTR2
SCHEMBL13748304 0.82 PTGDR2 (0.64) PTGDR2SMN1; SMN2USP2ALPLALOX15
SCHEMBL1777203 0.82 SMN1; SMN2 (0.52) THRATHRBSMN1; SMN2NPSR1CYSLTR2
SCHEMBL5441890 0.82 SMN1; SMN2 (0.52) THRATHRBSMN1; SMN2NPSR1CYSLTR2
SCHEMBL13341488 0.81 THRA (0.51) THRATHRBLMNAHTTMEN1
SCHEMBL11138643 0.81 THRA (0.51) THRATHRBLMNAHTTMEN1

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-6368608-B1 SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) (FR) 2002-04-09 US disclosed
US-6162445-A Polyaromatic propynyl compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 US disclosed
EP-0661258-B1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CIRD GALDERMA (FR) 1998-04-08 EP disclosed
US-5716624-A USEFUL FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, OPTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS/DISORDERS C.I.R.D. GALDERMA (FR) 1998-02-10 US disclosed
EP-0661258-A1 Biaromatic propynyl compounds, pharmaceutical compositions and cosmetics containing them and their uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-07-05 EP disclosed