SCHEMBL8557337

SCHEMBL8557337

CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cn3)ccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.73
RARA P10276 7/20 0.73
RARG P13631 7/20 0.73
CYP26A1 O43174 4/20 0.73
MEN1 O00255 2/20 0.73
CYP3A4 P08684 2/20 0.73
KMT2A Q03164 2/20 0.73
PGR P06401 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
TBXA2R P21731 1/20 0.73
BLVRB P30043 1/20 0.73
ALDH1A1 P00352 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
CYP2C19 P33261 1/20 0.65
CYP26B1 Q9NR63 2/20 0.59
RXRA P19793 13/20 0.58
RXRB P28702 10/20 0.52

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
SCHEMBL8552419 0.92 RARA (0.71) RARBRARARARGCYP26A1MEN1
SCHEMBL9118094 0.88 RARA (0.59) RARBRARARARGCYP26A1MEN1
SCHEMBL9120996 0.85 RARA (0.61) RARBRARARARGCYP26A1MEN1
Tamibarotene SCHEMBL36207 0.84 RARB (1.00) RARBRARARARGCYP26A1MEN1
Tamibarotene SCHEMBL29373818 0.84 RARB (1.00) RARBRARARARGCYP26A1MEN1
SCHEMBL9121356 0.84 RARA (0.71) RARBRARARARGCYP26A1MEN1
Tamibarotene SCHEMBL21055743 0.83 RARB (0.97) RARBRARARARGCYP26A1MEN1
SCHEMBL22845650 0.82 RARB (0.61) RARBRARARARGCYP26A1MEN1
SCHEMBL727936 0.80 RXRA (0.74) RARBRARARARGCYP26A1MEN1
SCHEMBL9117662 0.80 RARB (0.68) RARBRARARARGCYP26A1MEN1

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 9 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-0617020-A1 Carboxylic acid derivatives having retinoic acid-like activity Shudo, Koichi, Prof. Dr. (JP) 1994-09-28 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
US-5420145-A Antileukemia Shudo, Koichi (JP) 1995-05-30 US disclosed
EP-0619116-A2 Use of synthetic retinoids for osteopathy HOECHST JAPAN LIMITED (JP) 1994-10-12 EP disclosed
EP-0617020-A1 Carboxylic acid derivatives having retinoic acid-like activity Shudo, Koichi, Prof. Dr. (JP) 1994-09-28 EP disclosed