SCHEMBL7717554

SCHEMBL7717554

CCCOc1ccc(Br)cc1C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.60
HPGD P15428 3/20 0.53
LMNA P02545 5/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
USP2 O75604 2/20 0.45
ALPL P05186 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 3/20 0.41
MAPK1 P28482 2/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 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
SCHEMBL7717609 0.89 PTGDR2 (0.56) PTGDR2HPGDLMNASMN1; SMN2RAB9A
SCHEMBL13748304 0.86 PTGDR2 (0.64) PTGDR2HPGDLMNASMN1; SMN2RAB9A
SCHEMBL18704596 0.85 S1PR4 (0.54) PTGDR2HPGDLMNAKDM4ESMN1; SMN2
SCHEMBL7139001 0.82 PTGDR2 (0.60) PTGDR2HPGDLMNAKDM4ESMN1; SMN2
SCHEMBL986849 0.81 KDM4E (0.49) PTGDR2LMNAKDM4ESMN1; SMN2USP2
SCHEMBL278552 0.81 LMNA (0.42) PTGDR2LMNAKDM4ESMN1; SMN2RAB9A
SCHEMBL17847407 0.80 PTGDR2 (0.57) PTGDR2HPGDLMNAKDM4ESMN1; SMN2
SCHEMBL7928370 0.80 HPGD (0.60) HPGDLMNAKDM4ESMN1; SMN2RAB9A
SCHEMBL23665177 0.79 HTR2C (0.49) PTGDR2LMNAKDM4ESMN1; SMN2USP2
SCHEMBL9149513 0.79 ALDH1A1 (0.48) PTGDR2HPGDLMNAKDM4ESMN1; SMN2

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