SCHEMBL10595643

SCHEMBL10595643

COc1ccc2c(c1)C(C)(C)C1(C=Cc3ccc4ccccc4c3O1)N2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
KDM4E B2RXH2 6/20 0.48
LMNA P02545 6/20 0.48
GAA P10253 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 5/20 0.48
THRB P10828 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 4/20 0.48
RECQL P46063 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ALOX12 P18054 2/20 0.48
MAPK1 P28482 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
PKM P14618 2/20 0.44
PLIN1 O60240 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL8680238 0.85 MAPT (0.55) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL29786745 0.84 MAPT (0.56) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL1629606 0.84 MAPT (0.56) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL10418903 0.83 MAPT (0.43) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL8680344 0.82 MAPT (0.44) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL8682721 0.81 MAPT (0.56) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL25973516 0.81 MEN1 (0.47) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL8680103 0.78 MEN1 (0.46) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL8684941 0.77 MAPT (0.41) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL21333765 0.76 LMNA (0.38) MAPTKDM4ELMNAGAAALDH1A1

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-4880667-A SUNGLASSES, SPIROINDOLINE PHOTOCHROMIC COMPOUND PPG INDUSTRIES, INC. (US) 1989-11-14 US disclosed