SCHEMBL8554478

SCHEMBL8554478

CC(=O)c1ccc(OC(C)C)c(C(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
PKM P14618 1/20 0.50
POLB P06746 1/20 0.50
RORC P51449 1/20 0.45
CREBBP Q92793 1/20 0.45
MAPT P10636 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
PDK1 Q15118 1/20 0.41
HIF1A Q16665 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL8555020 0.86 RXRA (0.53) ALDH1A1TSHRKMT2AMEN1RXRA
SCHEMBL26030946 0.86 RXRA (0.53) ALDH1A1TSHRKMT2AMEN1PKM
SCHEMBL1105482 0.84 ALDH1A1 (0.51) ALDH1A1TSHRKMT2AMEN1POLB
SCHEMBL22343539 0.82 RXRA (0.41) ALDH1A1TSHRKMT2AMEN1PKM
SCHEMBL30628216 0.81 ALDH1A1 (0.57) ALDH1A1TSHRKMT2AMEN1PKM
SCHEMBL10762377 0.81 ALDH1A1 (0.57) ALDH1A1TSHRKMT2AMEN1PKM
SCHEMBL18232135 0.79 CREBBP (0.61) ALDH1A1TSHRKMT2AMEN1PKM
SCHEMBL661271 0.79 ALDH1A1 (0.56) ALDH1A1TSHRKMT2AMEN1PKM
SCHEMBL31510251 0.79 CREBBP (0.61) ALDH1A1TSHRKMT2AMEN1PKM
SCHEMBL5466423 0.79 ALDH1A1 (0.56) ALDH1A1TSHRKMT2AMEN1PKM

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-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