SCHEMBL8771910

SCHEMBL8771910

CC1(C)C=CC(=O)c2cc(C(=O)O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.43
TTR P02766 2/20 0.42
RARB P10826 7/20 0.41
RARG P13631 7/20 0.41
RARA P10276 6/20 0.41
PTPRC P08575 2/20 0.41
RXRA P19793 5/20 0.41
RXRB P28702 4/20 0.41
RXRG P48443 3/20 0.41
PDK2 Q15119 1/20 0.41
POLB P06746 2/20 0.41
CYP26A1 O43174 2/20 0.40
CYP26B1 Q9NR63 1/20 0.40
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL27551943 0.84 PTPRC (0.48) PTPRCPDK2KMT2A
SCHEMBL28133361 0.79 RARB (0.45) RARBRARGRARARXRARXRB
SCHEMBL8733887 0.77 RARB (0.49) RARBRARGRARARXRARXRB
SCHEMBL9165999 0.72 TTR (0.57) TDP2TTRPTPRCPOLBKMT2A
SCHEMBL30229349 0.71 IDO1 (0.46) PDK2KMT2A
SCHEMBL485022 0.70 TDP2 (0.50) TDP2RARBRARGRARARXRA
SCHEMBL17275573 0.70 RARB (0.50) TTRRARBRARGRARAPTPRC
SCHEMBL30571865 0.68 PDK2 (0.65) TTRRARBRARGPTPRCRXRA
SCHEMBL26122107 0.68 PDK2 (0.65) TTRRARBRARGPTPRCRXRA
SCHEMBL6292577 0.68 RARB (0.51) 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 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