SCHEMBL8556508

SCHEMBL8556508

CC(C)c1ccc(NC(=O)c2ccc(C(=O)O)cn2)cc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 16/20 0.51
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
P4HA1 P13674 1/20 0.47
MIF P14174 1/20 0.47

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
SCHEMBL8555863 0.91 P4HTM (0.64) P4HTMALDH1A1POLBMEN1LMNA
SCHEMBL9120660 0.87 MAPK1 (0.55) P4HTMALDH1A1POLBMEN1LMNA
SCHEMBL9120832 0.84 MAPK1 (0.54) P4HTMALDH1A1POLBMEN1LMNA
SCHEMBL8458858 0.83 HTT (0.57) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL8458561 0.77 MEN1 (0.61) ALDH1A1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL13210717 0.77 ALDH1A1 (0.65) P4HTMALDH1A1POLBKDM4ENPC1
SCHEMBL9060654 0.77 ALDH1A1 (0.54) P4HTMALDH1A1POLBMEN1LMNA
SCHEMBL6450288 0.75 ALDH1A1 (0.84) P4HTMALDH1A1POLBMEN1LMNA
SCHEMBL24892307 0.75 P4HTM (0.62) P4HTMALDH1A1POLBMEN1KMT2A
SCHEMBL30182387 0.75 P4HTM (0.62) P4HTMALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420145-A Antileukemia Shudo, Koichi (JP) 1995-05-30 US claimed
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