SCHEMBL9123720

SCHEMBL9123720

CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccc2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
KDM4E B2RXH2 3/20 0.55
ESR1 P03372 2/20 0.55
CYP3A4 P08684 2/20 0.55
HIF1A Q16665 2/20 0.55
ABCB11 O95342 1/20 0.55
ADRA2A P08913 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
PDE4A P27815 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRK1 P41145 1/20 0.55
STAT6 P42226 1/20 0.55
SLC6A3 Q01959 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
ELANE P08246 2/20 0.47
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 3/20 0.45
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL10369473 0.85 LMNA (0.50) LMNAKDM4EESR1CYP3A4HIF1A
SCHEMBL9125693 0.80 ALDH1A1 (0.62) LMNAKDM4EESR1CYP3A4HIF1A
SCHEMBL24747286 0.80 LMNA (0.64) LMNAKDM4EESR1CYP3A4HIF1A
SCHEMBL24747284 0.79 LMNA (0.62) LMNAKDM4EESR1CYP3A4HIF1A
SCHEMBL9125240 0.79 LMNA (0.52) LMNAKDM4EESR1CYP3A4HIF1A
SCHEMBL9125723 0.77 TSHR (0.50) LMNAKDM4EESR1CYP3A4HIF1A
SCHEMBL8939673 0.77 LMNA (0.50) LMNAKDM4EESR1CYP3A4HIF1A
SCHEMBL5677734 0.75 LMNA (0.51) LMNAKDM4EESR1CYP3A4HIF1A
SCHEMBL12445337 0.74 LMNA (0.57) LMNAKDM4EESR1CYP3A4HIF1A
SCHEMBL12521526 0.74 LMNA (0.57) LMNAKDM4EESR1CYP3A4HIF1A

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 3 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