SCHEMBL8771845

SCHEMBL8771845

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
RARB P10826 5/20 0.46
RARG P13631 5/20 0.46
RARA P10276 5/20 0.46
RXRA P19793 1/20 0.46
NR2E1 Q9Y466 1/20 0.46
VDR P11473 3/20 0.44
ALDH1A1 P00352 2/20 0.43
PIM1 P11309 1/20 0.43
MAPT P10636 5/20 0.42
LMNA P02545 4/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
S1PR4 O95977 1/20 0.42
ALPG P10696 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL8771839 1.00 PTPN1 (0.52) PTPN1RARBRARGRARARXRA
SCHEMBL8028178 0.85 PTPN1 (0.50) PTPN1RARBRARGRARARXRA
SCHEMBL803657 0.85 PDK2 (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL8026631 0.81 RARB (0.56) PTPN1RARBRARGRARARXRA
SCHEMBL1615329 0.79 RARB (0.72) PTPN1RARBRARGRARARXRA
SCHEMBL1615332 0.79 RARB (0.72) PTPN1RARBRARGRARARXRA
SCHEMBL1615774 0.79 RARB (0.72) PTPN1RARBRARGRARARXRA
SCHEMBL8026053 0.78 RARA (0.53) PTPN1RARBRARGRARARXRA
SCHEMBL6814443 0.78 PTPN1 (0.42) PTPN1RARBRARGRARARXRA
SCHEMBL6814451 0.78 PTPN1 (0.42) PTPN1RARBRARGRARARXRA

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-0661259-B1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL MYERS SQUIBB CO (US) 1997-10-08 EP disclosed
US-5648385-A TREATING RHEUMATOID ARTHRITIS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-15 US disclosed
US-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed
CN-1144217-A Retinoid-like compounds BRISTOL MYERS SQUIBB CO (US) 1997-03-05 CN disclosed
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 EP disclosed