SCHEMBL9128477

SCHEMBL9128477

CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccc2NC(=O)c2cccnc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 2/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP3A4 P08684 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 2/20 0.49
POLB P06746 1/20 0.49
TP53 P04637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ABCB1 P08183 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
Hydrochloric Acid SCHEMBL9126287 0.83 HDAC1 (0.55) MAPTALDH1A1ALOX15HTTL3MBTL1
SCHEMBL9122007 0.82 KMT2A (0.65) KMT2AMEN1ALDH1A1ALOX15HDAC3
SCHEMBL9126018 0.81 KMT2A (0.64) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL9124828 0.80 MEN1 (0.62) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL9124660 0.77 KMT2A (0.55) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL9124786 0.77 KMT2A (0.58) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL9124818 0.76 TSHR (0.53) KMT2AMEN1MAPTSMN1; SMN2TSHR
SCHEMBL9126538 0.76 MAPT (0.52) KMT2AMEN1MAPTALDH1A1CYP3A4
SCHEMBL9126492 0.76 KMT2A (0.48) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL9128565 0.75 KMT2A (0.49) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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
US-5413997-A For treatment of osteoporosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-05-09 US disclosed
EP-0395093-B1 TRIPHENYLMETHANE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-01 EP disclosed
US-5112867-A Osteoporosis Treatment KYOWA HAKKO GOGYO CO., LTD. (JP) 1992-05-12 US disclosed
EP-0395093-A1 Triphenylmethane derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-31 EP disclosed