SCHEMBL8551591

SCHEMBL8551591

CC1(C)CCC(C)(C)c2cc(N=Nc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.66
RXRB P28702 11/20 0.66
RARB P10826 10/20 0.66
RARG P13631 9/20 0.66
RXRG P48443 7/20 0.66
RARA P10276 6/20 0.65
CYP26A1 O43174 3/20 0.65
CYP3A4 P08684 3/20 0.65
CRABP2 P29373 1/20 0.65
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
PGR P06401 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
TBXA2R P21731 1/20 0.58

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
SCHEMBL8972592 1.00 RXRA (0.66) RXRARXRBRARBRARGRXRG
SCHEMBL10354287 0.84 CYP3A4 (0.60) RXRARXRBRARBRARGRXRG
SCHEMBL10354286 0.84 CYP3A4 (0.60) RXRARXRBRARBRARGRXRG
SCHEMBL846110 0.82 RARB (0.81) RXRARXRBRARBRARGRXRG
SCHEMBL29827631 0.82 RARB (0.81) RXRARXRBRARBRARGRXRG
SCHEMBL8556759 0.82 RXRA (0.62) RXRARXRBRARBRARGRXRG
SCHEMBL7688234 0.81 RARB (0.47) RXRARXRBRARBRARGRXRG
SCHEMBL8461871 0.81 RARB (0.62) RXRARXRBRARBRARGRXRG
SCHEMBL7688235 0.81 RARB (0.47) RXRARXRBRARBRARGRXRG
SCHEMBL8461869 0.81 RARB (0.62) RXRARXRBRARBRARGRXRG

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0619116-A2 Use of synthetic retinoids for osteopathy HOECHST JAPAN LIMITED (JP) 1994-10-12 EP claimed
EP-0170105-B1 BENZOIC ACID DERIVATIVES Shudo, Koichi, Prof. Dr. (JP) 1990-10-17 EP claimed
US-5767146-A Anti-osteopathic composition HOECHST JAPAN LIMITED (JP) 1998-06-16 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
US-5525618-A ENHANCING OSTEOGENESIS, PREVENTING OSTEOPOROSIS HOECHST JAPAN LIMITED (JP) 1996-06-11 US disclosed
EP-0619116-A2 Use of synthetic retinoids for osteopathy HOECHST JAPAN LIMITED (JP) 1994-10-12 EP disclosed