SCHEMBL6814451

SCHEMBL6814451

COC(=O)c1ccc(C=Cc2ccc3c(c2)C(C#CC(C)(C)C)=C(C)CC3(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
RARA P10276 6/20 0.40
RARB P10826 6/20 0.39
RARG P13631 6/20 0.39
RXRA P19793 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
VDR P11473 4/20 0.37
LMNA P02545 4/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 2/20 0.35
S1PR4 O95977 1/20 0.35
POLB P06746 1/20 0.35
ALPG P10696 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 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
SCHEMBL6814443 1.00 PTPN1 (0.42) PTPN1RARARARBRARGRXRA
SCHEMBL6813836 0.89 RARA (0.51) RARARARBRARGRXRANR2E1
SCHEMBL6813842 0.89 RARA (0.51) RARARARBRARGRXRANR2E1
SCHEMBL6814439 0.85 RARB (0.37) RARARARBRARGRXRAMAPT
SCHEMBL8028178 0.82 PTPN1 (0.50) PTPN1RARARARBRARGRXRA
SCHEMBL6810956 0.81 RARA (0.59) PTPN1RARARARBRARGRXRA
SCHEMBL6810960 0.81 RARA (0.59) PTPN1RARARARBRARGRXRA
SCHEMBL8771845 0.78 PTPN1 (0.52) PTPN1RARARARBRARGRXRA
SCHEMBL8771839 0.78 PTPN1 (0.52) PTPN1RARARARBRARGRXRA
SCHEMBL6814374 0.75 RARA (0.42) PTPN1RARARARBRARGRXRA

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