SCHEMBL7714832

SCHEMBL7714832

C=CCOC(=O)c1ccc(C(=O)C#Cc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 11/20 0.51
▸ RARG P13631 11/20 0.51
▸ RARA P10276 10/20 0.51
▸ CYP3A4 P08684 7/20 0.51
▸ CYP26A1 O43174 5/20 0.51
▸ CRABP2 P29373 1/20 0.51
▸ CYP26B1 Q9NR63 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ RXRA P19793 7/20 0.41
▸ RXRB P28702 4/20 0.41
▸ RXRG P48443 4/20 0.41
▸ SNCA P37840 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL7714816 0.84 RARA (0.50) RARBRARGRARACYP3A4CYP26A1
SCHEMBL7715323 0.79 RARB (0.80) RARBRARGRARACYP3A4CYP26A1
SCHEMBL8839222 0.79 RXRA (0.50) RARBRARGRARACYP3A4CYP26A1
SCHEMBL9484975 0.77 RARB (0.67) RARBRARGRARACYP3A4CYP26A1
SCHEMBL9255914 0.77 RXRA (0.48) RARBRARGRARACYP3A4CYP26A1
SCHEMBL8458134 0.77 CYP26A1 (0.65) RARBRARGRARACYP3A4CYP26A1
SCHEMBL7709220 0.76 CYP3A4 (0.65) RARBRARGRARACYP3A4CYP26A1
SCHEMBL8102610 0.76 CYP3A4 (0.47) RARBRARGRARACYP3A4CYP26A1
SCHEMBL8457432 0.76 CYP3A4 (0.42) RARBRARGRARACYP3A4CYP26A1
SCHEMBL7879903 0.75 RXRA (0.44) RARBRARGRARACYP3A4CYP26A1

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
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
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
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