SCHEMBL8881998

SCHEMBL8881998

C1=CC2(Oc3ccc4ccccc4c31)C(c1ccccc1)=C(c1ccccc1)c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL2127986 0.84 PIN1 (0.34) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL2126375 0.83 ALDH1A1 (0.54) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL361847 0.75 KDM4E (0.50) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL30284405 0.75 KDM4E (0.50) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL2517095 0.75 KDM4E (0.45) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL8681103 0.74 KDM4E (0.50) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL8681140 0.73 ALDH1A1 (0.49) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL8680143 0.73 KDM4E (0.42) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL7731732 0.73 KDM4E (0.43) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL8679962 0.72 KDM4E (0.45) KDM4EMEN1NPC1ALDH1A1LMNA

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-5628935-A Photochromic spironaphthopyran compounds VISION-EASE LENS, INC. (US) 1997-05-13 US disclosed