SCHEMBL8522221

SCHEMBL8522221

CC1(C)CCC(C)(C)c2cc(C(=O)C=Cc3ccc(C(=O)O)c(O)c3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.58
RARG P13631 10/20 0.58
RARA P10276 8/20 0.58
CYP26A1 O43174 2/20 0.57
RXRA P19793 11/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
GMNN O75496 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52

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
SCHEMBL8522220 1.00 RARB (0.58) RARBRARGRARACYP26A1RXRA
SCHEMBL4315169 0.85 RARB (0.75) RARBRARGRARACYP26A1RXRA
SCHEMBL4315172 0.85 RARB (0.75) RARBRARGRARACYP26A1RXRA
SCHEMBL1406563 0.82 RXRA (0.45) RARBRARGRARACYP26A1RXRA
SCHEMBL1406565 0.82 RXRA (0.45) RARBRARGRARACYP26A1RXRA
SCHEMBL1406526 0.81 RXRA (0.42) RARBRARGRARACYP26A1RXRA
SCHEMBL1406524 0.81 RXRA (0.42) RARBRARGRARACYP26A1RXRA
SCHEMBL6017458 0.81 RARB (0.51) RARBRARGRARACYP26A1RXRA
SCHEMBL6017460 0.81 RARB (0.51) RARBRARGRARACYP26A1RXRA
SCHEMBL9186108 0.80 CYP26A1 (0.64) RARBRARGRARACYP26A1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
US-5654331-A SKIN AND RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-08-05 US disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed
US-5476860-A Diaromatic compounds derived from a salicylic unit and their use in human and veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD GALDERMA) (FR) 1995-12-19 US disclosed