SCHEMBL6818882

SCHEMBL6818882

C=C(c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(OS(=O)(=O)C(F)(F)F)=CCC2(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.48
RARG P13631 14/20 0.48
RARA P10276 12/20 0.48
RXRA P19793 11/20 0.48
RXRB P28702 4/20 0.48
RXRG P48443 4/20 0.48
MEN1 O00255 1/20 0.44
CYP26A1 O43174 1/20 0.44
ABCB11 O95342 1/20 0.44
ESR1 P03372 1/20 0.44
PGR P06401 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44

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
SCHEMBL8664382 0.91 RARB (0.44) RARBRARGRARARXRANR2E1
SCHEMBL6810766 0.91 RARA (0.38) RARBRARGRARARXRARXRB
SCHEMBL8331156 0.88 PDK2 (0.37) RARBRARGRARARXRARXRB
SCHEMBL8682491 0.86 RARA (0.46) RARBRARGRARARXRANR2E1
SCHEMBL8682496 0.86 RARA (0.46) RARBRARGRARARXRANR2E1
SCHEMBL8981637 0.85 RARA (0.60) RARBRARGRARARXRAMEN1
SCHEMBL7800461 0.84 RARB (0.61) RARBRARGRARACYP26A1
SCHEMBL6238701 0.84 RARA (0.60) RARBRARGRARARXRANR2E1
SCHEMBL6238706 0.84 RARA (0.60) RARBRARGRARARXRANR2E1
SCHEMBL6292935 0.84 PDK2 (0.45) RARBRARGRARARXRACYP26A1

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
EP-1115687-B1 5,6-DIHYDRONAPHTHALENYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2004-05-26 EP disclosed
EP-1115687-A4 5,6-DIHYDRONAPHTHALENYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2002-06-05 EP disclosed
EP-1115687-A1 5,6-DIHYDRONAPHTHALENYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2001-07-18 EP disclosed
US-6194601-B1 USEFUL IN TREATMENT OF SKIN DISORDERS SUCH AS ACNE AND DAMAGE FROM AGE OR IRRADIATION; CHRONIC SKIN INFLAMMATORY INFLAMMATORY DISEASES SUCH AS PSORIASIS AND ATOPIC DERMATITIS; ANTITUMOR AGENTS FOR BREAST CANCER, LUNG CANCER; NONTOXIC BRISTOL-MYERS SQUIBB COMPANY 2001-02-27 US disclosed
WO-2000017147-A1 5,6-DIHYDRONAPHTHALENYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-30 WO disclosed