SCHEMBL9124992

SCHEMBL9124992

O=C(c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1)N1CCSCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
GAA P10253 1/20 0.56
TYR P14679 1/20 0.40
HPGD P15428 6/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 3/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RECQL P46063 2/20 0.35
DPP4 P27487 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOD2 Q9HC29 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL9125083 0.86 KMT2A (0.59) ALDH1A1KMT2ATDP1GAAHPGD
SCHEMBL9123908 0.84 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1GAATYR
SCHEMBL9124217 0.84 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1GAAHPGD
SCHEMBL9124250 0.82 ALDH1A1 (0.62) ALDH1A1KMT2ATDP1GAATYR
SCHEMBL18930367 0.80 HPGD (0.49) ALDH1A1KMT2AHPGDRAB9AHSD17B10
SCHEMBL9122348 0.80 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1GAATSHR
SCHEMBL9123049 0.79 ALDH1A1 (0.54) ALDH1A1KMT2ATDP1GAATYR
SCHEMBL9122324 0.79 LMNA (0.54) ALDH1A1KMT2ATDP1GAATSHR
SCHEMBL9124951 0.79 KMT2A (0.50) ALDH1A1KMT2ATDP1GAATYR
SCHEMBL9124615 0.79 MAPT (0.57) ALDH1A1KMT2ATDP1GAAHSD17B10

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