SCHEMBL28686355

SCHEMBL28686355

CCCCCc1ccc2oc3ccccc3c2c1CCCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
PTPN1 P18031 3/20 0.38
MAPT P10636 1/20 0.38
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MCL1 Q07820 1/20 0.36
EYA3 Q99504 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8868142 0.84 MAOA (0.46) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL28137238 0.83 LIPG (0.45) ESR1LIPGPTPN1MAPTPTGS2
SCHEMBL5367962 0.79 MAPT (0.48) PTPN1MAPTCYP1A2CYP2C19KDM4E
SCHEMBL3453786 0.79 ESR1 (0.40) ESR1LIPGMAPTPTGS2KDM4E
SCHEMBL5013814 0.79 ESR1 (0.40) ESR1LIPGMAPTPTGS2KDM4E
SCHEMBL1022669 0.79 LIPG (0.43) LIPGMAPTKDM4EALDH1A1GAA
SCHEMBL31497086 0.79 PTPN1 (0.41) PTPN1MAPTCYP1A2CYP2C19CYP2D6
SCHEMBL16985146 0.77 MAPT (0.43) LIPGPTPN1MAPTCYP1A2CYP2C19
SCHEMBL27693802 0.76 MAOA (0.51) ALDH1A1GAANPC1RAB9ATYR
SCHEMBL28445314 0.76 MAPT (0.40) ESR1PTPN1MAPTKDM4EALDH1A1

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
CN-110914043-B Resin-metal composite, method for producing resin-metal composite, and method for disassembling resin-metal composite 株式会社日立制作所 2022-03-15 CN disclosed
CN-110914043-A Resin-metal composite, method for producing resin-metal composite, and method for disassembling resin-metal composite 株式会社日立制作所 2020-03-24 CN disclosed