SCHEMBL11656201

SCHEMBL11656201

O=c1cc(-c2ccccc2)oc2cccc(OCCOc3ccccc3)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.65
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 3/20 0.65
CYP3A4 P08684 3/20 0.65
MAPT P10636 2/20 0.65
TP53 P04637 2/20 0.65
HSD17B10 Q99714 2/20 0.65
HPGD P15428 1/20 0.65
BCHE P06276 2/20 0.61
ACHE P22303 1/20 0.61
SIGMAR1 Q99720 5/20 0.60
ABCB1 P08183 2/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55

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
SCHEMBL11651069 0.88 ALDH1A1 (0.67) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL9390377 0.87 AR (0.65) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL11652574 0.86 ALDH1A1 (0.64) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL9207377 0.86 AR (0.64) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL8787218 0.86 SIGMAR1 (0.66) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL9140082 0.86 ALDH1A1 (0.67) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL11659326 0.85 ALDH1A1 (0.60) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL11657461 0.85 KDM4E (0.75) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL11651344 0.85 BCHE (0.69) ARALDH1A1KDM4ECYP3A4MAPT
SCHEMBL16160522 0.85 MAOB (0.60) ARALDH1A1KDM4ECYP3A4MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4105781-A ANTIALLERGENS FOR TREATMENT OF ASTHMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1978-08-08 US disclosed
US-4049664-A ANTIALLERGENS, ANTIASTHMATICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-09-20 US disclosed
US-3965122-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-06-22 US disclosed