SCHEMBL9124466

SCHEMBL9124466

COCOc1ccc(C(c2ccc(OCOC)cc2)c2ccccc2CNC2CCCc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ KDM4E B2RXH2 6/20 0.53
▸ ALDH1A1 P00352 6/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ADRB3 P13945 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ DHFR P00374 1/20 0.42
▸ PLA2G1B P04054 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL9126148 0.94 KMT2A (0.46) KMT2AKDM4EALDH1A1MEN1TP53
SCHEMBL9126112 0.80 KDM4E (0.40) KMT2AKDM4EALDH1A1MEN1HTT
SCHEMBL9123842 0.80 KDM4E (0.40) KMT2AKDM4EALDH1A1MEN1HTT
SCHEMBL9523527 0.74 MEN1 (0.36) KMT2AMEN1CYP2C19
SCHEMBL9520874 0.71 KMT2A (0.50) KMT2AKDM4EALDH1A1MEN1CYP3A4
SCHEMBL9125178 0.70 NPC1 (0.37) KMT2AKDM4EMEN1TP53CYP3A4
SCHEMBL6253003 0.68 KMT2A (0.65) KMT2AKDM4EALDH1A1MEN1HTT
SCHEMBL6257973 0.67 KMT2A (0.67) KMT2AKDM4EALDH1A1MEN1TSHR
SCHEMBL7576759 0.67 KDM4E (0.60) KMT2AKDM4EALDH1A1MEN1TP53
SCHEMBL9125185 0.66 MEN1 (0.38) KMT2AALDH1A1MEN1CYP1A2ADRB2

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
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