SCHEMBL8771825

SCHEMBL8771825

CC1(C)c2ccc(C(=O)O)cc2C(c2ccccc2)=C2CC=CCC21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 16/20 0.41
RARG P13631 14/20 0.41
RXRA P19793 6/20 0.41
RARA P10276 14/20 0.39
NR2E1 Q9Y466 1/20 0.39
CYP26A1 O43174 1/20 0.38
CYP26B1 Q9NR63 1/20 0.38
PDK2 Q15119 1/20 0.36
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SRD5A2 P31213 1/20 0.34

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
SCHEMBL4652246 0.89 RARA (0.56) RARBRARGRXRARARACYP26A1
SCHEMBL8771793 0.69 RARB (0.48) RARBRARGRXRARARANR2E1
SCHEMBL8771867 0.67 RARB (0.46) RARBRARGRXRARARANR2E1
SCHEMBL8771792 0.66 CA12 (0.40) RARBRARGRXRARARACYP26A1
SCHEMBL8771650 0.65 RARB (0.77) RARBRARGRXRARARANR2E1
SCHEMBL17275573 0.63 RARB (0.50) RARBRARGRXRARARANR2E1
SCHEMBL12365183 0.62 SRD5A2 (0.53) SRD5A2
SCHEMBL8771635 0.62 TDP2 (0.42) RARBRARGRXRARARACYP26A1
SCHEMBL30571865 0.62 PDK2 (0.65) RARBRARGRXRAPDK2SRD5A2
SCHEMBL26122107 0.62 PDK2 (0.65) RARBRARGRXRAPDK2SRD5A2

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