SCHEMBL9257841

SCHEMBL9257841

C1=CC(c2ccccc2)(c2cc3ccccc3o2)Oc2ccc3ccccc3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP1A1 P04798 1/20 0.31

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
SCHEMBL30284405 0.84 KDM4E (0.50) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL361847 0.84 KDM4E (0.50) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL9260925 0.84 KDM4E (0.38) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL8921625 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL9104399 0.81 KDM4E (0.40) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL9056690 0.80 KDM4E (0.44) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL2517095 0.78 KDM4E (0.45) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL1387642 0.75 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL9258580 0.75 MEN1 (0.40) KDM4EALDH1A1HPGDMEN1NPC1
SCHEMBL5615321 0.74 SMN1; SMN2 (0.43) KDM4EALDH1A1HPGDMEN1NPC1

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-5429774-A FOR USE IN PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 1995-07-04 US claimed
US-5429774-A FOR USE IN PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 1995-07-04 US disclosed