SCHEMBL7902107

SCHEMBL7902107

CC1(C)CCC(C)(C)c2cc3cc(-c4ccccc4C(=O)O)ccc3cc21

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARG P13631 14/20 0.63
RARB P10826 14/20 0.63
RARA P10276 13/20 0.63
RXRA P19793 4/20 0.60
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP26A1 O43174 1/20 0.46
CYP26B1 Q9NR63 1/20 0.46
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43

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
SCHEMBL2914641 0.80 RARB (0.68) RARGRARBRARARXRACYP26A1
SCHEMBL30610922 0.79 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3
SCHEMBL84188 0.79 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3
SCHEMBL29618929 0.79 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3
SCHEMBL8656894 0.79 RARG (0.71) RARGRARBRARARXRACYP26A1
SCHEMBL8656889 0.78 RARG (0.67) RARGRARBRARARXRACYP26A1
SCHEMBL7265393 0.78 RARG (0.63) RARGRARBRARARXRA
Bromide SCHEMBL7032662 0.78 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3
SCHEMBL31266609 0.77 RARB (1.00) RARGRARBRARARXRACYP26A1
SCHEMBL3453631 0.77 RARB (1.00) RARGRARBRARARXRACYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211239-B1 Method for treating or preventing breast cancer or leukemia using 6-[3-[1-adamantyl]-4-hydroxyphenyl]-2-naphthalene carboxylic acid (AHPN) CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2001-04-03 US disclosed
EP-0850067-A4 METHOD FOR TREATING CANCERS USING 6- 3- 1-ADAMANTYL]-4-HYDROXYPHENYL] CIRD GALDERMA (FR) 1999-12-15 EP disclosed
EP-0850067-A1 METHOD FOR TREATING CANCERS USING 6- 3- 1-ADAMANTYL]-4-HYDROXYPHENYL] CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-07-01 EP disclosed
WO-1997003682-A1 METHOD FOR TREATING CANCERS USING 6-[3-[1-ADAMANTYL]-4-HYDROXYPHENYL] CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. GALDERMA (FR) 1997-02-06 WO disclosed