SCHEMBL8771867

SCHEMBL8771867

CC1C=C(c2ccccc2)c2cc(C(=O)O)ccc2C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.46
RARG P13631 11/20 0.46
RARA P10276 10/20 0.46
RXRA P19793 2/20 0.46
NR2E1 Q9Y466 1/20 0.46
PDK2 Q15119 1/20 0.41
TTR P02766 1/20 0.39
PTPRC P08575 2/20 0.38
KMO O15229 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8771633 0.87 RARA (0.66) RARBRARGRARARXRANR2E1
SCHEMBL17275573 0.77 RARB (0.50) RARBRARGRARARXRANR2E1
SCHEMBL27462001 0.74 RARB (0.43) RARBRARGRARARXRANR2E1
SCHEMBL8771650 0.74 RARB (0.77) RARBRARGRARARXRANR2E1
SCHEMBL12365222 0.72 TDP1 (0.44) RARBRARGRARATTRPTPRC
SCHEMBL8771635 0.68 TDP2 (0.42) RARBRARGRARARXRAPDK2
SCHEMBL30571865 0.67 PDK2 (0.65) RARBRARGRXRAPDK2TTR
SCHEMBL26122107 0.67 PDK2 (0.65) RARBRARGRXRAPDK2TTR
SCHEMBL27143657 0.66 PDK2 (0.68) RARBRARGRXRAPDK2TTR
SCHEMBL4653407 0.66 RARB (0.69) RARBRARGRARARXRANR2E1

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 4 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
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 EP disclosed