SCHEMBL8964873

SCHEMBL8964873

CCCC1(CCC)c2ccccc2-c2cc3nc(-c4cc5oc6ccccc6c5cc4O)oc3cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 5/20 0.39
TP53 P04637 5/20 0.39
NPC1 O15118 4/20 0.39
GAA P10253 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
ALOX15 P16050 2/20 0.39
HTT P42858 2/20 0.39
ESR1 P03372 8/20 0.37
ESR2 Q92731 8/20 0.37
KDM6B O15054 1/20 0.37
KDM6A O15550 1/20 0.37
HSD17B10 Q99714 4/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL8964752 0.83 MAPT (0.35) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL13327367 0.83 MAPT (0.43) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL13327377 0.77 RAB9A (0.42) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL8964836 0.77 CNR2 (0.31) KDM4EESR1ESR2
SCHEMBL13327380 0.75 RAB9A (0.38) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL13327369 0.74 NPC1 (0.45) MAPTALDH1A1KDM4ERAB9ANPC1
SCHEMBL8964800 0.73 KDM6B (0.64) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL3289127 0.73 TP53 (0.30) MAPTKDM4ESMN1; SMN2RAB9ATP53
SCHEMBL8965506 0.73 KDM4E (0.56) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL8964790 0.72 RPS6KA3 (0.53) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A

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
US-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US claimed
US-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed