SCHEMBL9523527

SCHEMBL9523527

COCOc1ccc(C(c2ccc(OCOC)cc2)c2ccccc2CNC2C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TACR1 P25103 14/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CACNA1F O60840 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CACNA1D Q01668 1/20 0.32
▸ CACNA1S Q13698 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ GPR65 Q8IYL9 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32

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
SCHEMBL9126004 0.89 MEN1 (0.46) MEN1CYP2D6CYP2C19KMT2ATACR1
SCHEMBL10370086 0.80 TRPV6 (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL9126112 0.80 KDM4E (0.40) MEN1KMT2ASMN1; SMN2
SCHEMBL9123842 0.80 KDM4E (0.40) MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9522102 0.79 POLB (0.41) MEN1KMT2ATACR1SMN1; SMN2
SCHEMBL9126148 0.78 KMT2A (0.46) MEN1CYP2C19KMT2AMAOAMAOB
SCHEMBL9520874 0.75 KMT2A (0.50) MEN1KMT2A
SCHEMBL9124466 0.74 KMT2A (0.54) MEN1CYP2C19KMT2A
SCHEMBL9125178 0.73 NPC1 (0.37) MEN1CYP2D6KMT2A
SCHEMBL9125185 0.70 MEN1 (0.38) MEN1CYP2D6CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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