SCHEMBL8642829

SCHEMBL8642829

COP(=O)(Cc1ccc(N(C)C(=O)c2cc(=O)c3ccccc3o2)cc1)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 3/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 1/20 0.46
MAOB P27338 1/20 0.46
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
CSNK2A2 P19784 1/20 0.45
PTGS1 P23219 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.43

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
SCHEMBL6963159 0.82 MAPT (0.57) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL6963573 0.81 KDM4E (0.63) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL6891384 0.81 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPTMAOB
SCHEMBL6966261 0.79 MEN1 (0.55) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL6955199 0.77 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL6965667 0.76 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL8641561 0.74 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL7221783 0.74 HIF1A (0.56) KMT2AMEN1ALDH1A1MAOBHTT
SCHEMBL8661913 0.72 MAOA (0.56) KMT2AALDH1A1MAPTGAAKDM4E
SCHEMBL6966665 0.70 MAOB (0.47) ALDH1A1MAPTMAOBKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625522-B1 Benzopyran derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-08-19 EP disclosed
US-5741784-A ADMINISTERING TO TREAT METABOLIC BONE DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-21 US disclosed
US-5580863-A TREATMENT OF OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-03 US disclosed
EP-0625522-A1 Benzopyran derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-23 EP disclosed