SCHEMBL9125083

SCHEMBL9125083

O=C(c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1)N1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
GAA P10253 2/20 0.59
ALDH1A1 P00352 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.48
GLA P06280 1/20 0.48
HTT P42858 2/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL9122348 0.87 ALDH1A1 (0.51) KMT2AGAAALDH1A1TDP1SMN1; SMN2
SCHEMBL9124217 0.86 ALDH1A1 (0.56) KMT2AGAAALDH1A1TDP1SMN1; SMN2
SCHEMBL9124992 0.86 ALDH1A1 (0.56) KMT2AGAAALDH1A1TDP1SMN1; SMN2
SCHEMBL9123908 0.86 ALDH1A1 (0.56) KMT2AGAAALDH1A1TDP1HTT
SCHEMBL9124250 0.84 ALDH1A1 (0.62) KMT2AGAAALDH1A1TDP1SMN1; SMN2
SCHEMBL9126910 0.82 HTT (0.51) KMT2AGAAALDH1A1SMN1; SMN2GLA
SCHEMBL9125231 0.82 KMT2A (0.57) KMT2AALDH1A1SMN1; SMN2GLAHTT
SCHEMBL9123049 0.81 ALDH1A1 (0.54) KMT2AGAAALDH1A1TDP1SMN1; SMN2
SCHEMBL9124615 0.81 MAPT (0.57) KMT2AGAAALDH1A1TDP1SMN1; SMN2
SCHEMBL9122324 0.81 LMNA (0.54) KMT2AGAAALDH1A1TDP1SMN1; 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