SCHEMBL8555861

SCHEMBL8555861

CC1(C)CCC(C)(C)c2cc(C(=O)C=C(O)OC(=O)c3ccccc3)c(O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.50
RARB P10826 7/20 0.48
RARG P13631 7/20 0.41
RARA P10276 5/20 0.41
RXRB P28702 6/20 0.40
RXRG P48443 6/20 0.40
MEN1 O00255 1/20 0.38
CYP26A1 O43174 1/20 0.38
ABCB11 O95342 1/20 0.38
ESR1 P03372 1/20 0.38
PGR P06401 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 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
SCHEMBL8555857 0.78 RXRA (0.54) RXRARARBRARGRARARXRB
SCHEMBL2193183 0.76 RXRA (0.81) RXRARARBRARGRARARXRB
SCHEMBL7029044 0.76 RXRA (0.56) RXRARARBRARGRARARXRB
SCHEMBL7610117 0.75 RXRA (0.69) RXRARARBRARGRARARXRB
SCHEMBL18912850 0.75 RXRA (0.69) RXRARARBRARGRARARXRB
SCHEMBL7622114 0.75 RXRA (0.69) RXRARARBRARGRARARXRB
SCHEMBL31590413 0.75 RXRA (0.69) RXRARARBRARGRARARXRB
SCHEMBL29350194 0.75 RXRA (0.69) RXRARARBRARGRARARXRB
SCHEMBL8332031 0.72 RXRA (0.59) RXRARARBRARGRARARXRB
SCHEMBL8695594 0.71 RXRA (0.58) RXRARARBRARGRARARXRB

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
US-5750515-A BENZOIC ACID DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US claimed
US-5767146-A Anti-osteopathic composition HOECHST JAPAN LIMITED (JP) 1998-06-16 US disclosed
US-5750515-A BENZOIC ACID DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5716995-A TREATING OR PREVENTING BONE DISEASES BY ADMINISTERING PHENOLIC, HETERO- OR NAPHTHYL- DERIVATIVES OF 1-HYDROXY-3-OXO-1-PROPENYL BENZOIC ACID TO PROMOTE OSTEOGENESIS HOECHST JAPAN LIMITED (JP) 1998-02-10 US disclosed
US-5703128-A TREATING OSTEOPOROSIS, BONE FRACTURES HOECHST JAPAN LIMITED (JP) 1997-12-30 US disclosed