SCHEMBL8719368

SCHEMBL8719368

C=CCCCCCCCCOc1ccc(-c2ccc(OC[C@@H]3O[C@H]3CCCC)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
HPGD P15428 4/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
HTT P42858 1/20 0.48
CYP2D6 P10635 7/20 0.39
CYP19A1 P11511 6/20 0.39
CYP2C9 P11712 5/20 0.39
CYP2C19 P33261 5/20 0.39
CYP1A2 P05177 3/20 0.39
RAB9A P51151 5/20 0.38
MAPT P10636 3/20 0.38
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR1B P28222 2/20 0.36
HTR2B P41595 2/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL7883750 0.91 KDM4E (0.58) KDM4EHPGDALDH1A1L3MBTL1HTT
SCHEMBL9426136 0.89 NPC1 (0.44) KDM4EHPGDALDH1A1L3MBTL1HTT
SCHEMBL9426855 0.89 NPC1 (0.44) KDM4EHPGDALDH1A1L3MBTL1HTT
SCHEMBL7505484 0.88 NPC1 (0.45) KDM4EHPGDALDH1A1L3MBTL1HTT
SCHEMBL9083053 0.79 KDM4E (0.49) KDM4EHPGDALDH1A1L3MBTL1HTT
SCHEMBL10000265 0.79 NPC1 (0.51) KDM4EHPGDALDH1A1L3MBTL1HTT
SCHEMBL9082324 0.78 KDM4E (0.48) KDM4EHPGDALDH1A1L3MBTL1HTT
SCHEMBL7880347 0.78 KDM4E (0.46) KDM4EHPGDALDH1A1L3MBTL1HTT
SCHEMBL7883591 0.76 RAB9A (0.56) KDM4EHPGDALDH1A1L3MBTL1HTT
SCHEMBL9082199 0.76 KDM4E (0.46) KDM4EHPGDALDH1A1L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5707545-A OPTICAL APPARATUS FOR ELCTRONICS HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed