SCHEMBL8964810

SCHEMBL8964810

COc1cc2c(cc1C(=O)O)oc1ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.60
MAPT P10636 11/20 0.60
HPGD P15428 11/20 0.60
MEN1 O00255 10/20 0.60
KMT2A Q03164 10/20 0.60
KDM4E B2RXH2 10/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
POLB P06746 2/20 0.60
CYP2D6 P10635 1/20 0.60
HTT P42858 1/20 0.60
NPC1 O15118 3/20 0.57
LMNA P02545 6/20 0.55
GPR55 Q9Y2T6 1/20 0.55
PKM P14618 1/20 0.55
GAA P10253 3/20 0.54
NPSR1 Q6W5P4 4/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL22139803 0.88 MEN1 (0.57) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL11594193 0.83 ALDH1A1 (0.52) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL28674166 0.82 TBK1 (0.60) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL31690264 0.78 KMT2A (0.59) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL2761273 0.78 TBK1 (0.52) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL22139799 0.78 KMT2A (0.59) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL12203168 0.77 KMT2A (0.58) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8798023 0.76 KMT2A (0.61) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8964538 0.76 MAPT (0.60) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL9350041 0.76 HPGD (0.62) ALDH1A1MAPTHPGDMEN1KMT2A

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