SCHEMBL6814070

SCHEMBL6814070

C=C(c1ccc(C(=O)OC)cc1)c1ccc2c(c1)C(=O)C(C)CC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.41
RARG P13631 4/20 0.41
RARA P10276 3/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CYP3A4 P08684 3/20 0.41
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CYP26A1 O43174 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDK2 Q15119 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SETD7 Q8WTS6 1/20 0.35

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
SCHEMBL6814372 0.79 RXRA (0.49) RARBRARGRARARXRARXRB
SCHEMBL8771776 0.79 RARB (0.43) RARBRARGRARARXRARXRB
SCHEMBL8028176 0.76 RARB (0.43) RARBRARGRARARXRARXRB
SCHEMBL8026629 0.76 RARB (0.43) RARBRARGRARARXRARXRB
SCHEMBL7421758 0.75 RXRA (0.72) RARBRARGRARARXRARXRB
SCHEMBL8026052 0.74 RARB (0.41) RARBRARGRARARXRARXRB
SCHEMBL7800429 0.73 RARA (0.43) RARBRARGRARARXRARXRB
SCHEMBL8026089 0.72 RXRA (0.60) RARBRARGRARARXRARXRB
SCHEMBL8026107 0.72 RARB (0.60) RARBRARGRARARXRA
SCHEMBL6810972 0.71 RARA (0.39) RARBRARGRARARXRARXRB

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