SCHEMBL8555863

SCHEMBL8555863

CC(C)c1ccc(NC(=O)c2ccc(C(=O)O)nc2)cc1C(C)C

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 17/20 0.64
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8556508 0.91 P4HTM (0.51) P4HTMALDH1A1KDM4ENPC1RAB9A
SCHEMBL9120832 0.88 MAPK1 (0.54) P4HTMALDH1A1KDM4ENPC1RAB9A
SCHEMBL9120660 0.84 MAPK1 (0.55) P4HTMALDH1A1KDM4ENPC1RAB9A
SCHEMBL8458858 0.82 HTT (0.57) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL8458561 0.76 MEN1 (0.61) ALDH1A1NPC1RAB9AMEN1LMNA
SCHEMBL9895324 0.76 P4HTM (1.00) P4HTMALDH1A1KDM4ENPC1RAB9A
SCHEMBL24892240 0.75 P4HTM (0.75) P4HTMALDH1A1KDM4ENPC1RAB9A
SCHEMBL2407636 0.74 P4HTM (0.54) P4HTMMEN1KMT2A
SCHEMBL8552419 0.74 RARA (0.71) P4HTMALDH1A1MEN1KMT2A
SCHEMBL13816279 0.72 LMNA (0.59) ALDH1A1NPC1RAB9APOLBLMNA

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 11 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-5424313-A Bibyclic heteroacrylpiperazine derivatives having psychotropic activity, and pharmaceutical compositions containing these derivatives DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1995-06-13 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