SCHEMBL11501912

SCHEMBL11501912

Cc1cc(=O)oc2cc(OCC#CCN3CCCC3)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.67
ALDH1A1 P00352 10/20 0.62
KDM4E B2RXH2 9/20 0.62
HPGD P15428 5/20 0.62
GAA P10253 3/20 0.62
HSD17B10 Q99714 3/20 0.62
GLA P06280 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TSHR P16473 1/20 0.62
ALDH2 P05091 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 1/20 0.60
ACHE P22303 4/20 0.54
MAOA P21397 3/20 0.53
MAPT P10636 4/20 0.53
TP53 P04637 2/20 0.53
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.53
NPC1 O15118 1/20 0.52
CASP3 P42574 1/20 0.52

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
SCHEMBL11502029 0.99 MAOB (0.69) MAOBALDH1A1KDM4EHPGDGAA
SCHEMBL7044392 0.91 KDM4E (0.63) MAOBALDH1A1KDM4EHPGDGAA
SCHEMBL11502207 0.79 ALDH1A1 (0.67) MAOBALDH1A1KDM4EHPGDGAA
SCHEMBL2465940 0.77 ALDH1A1 (0.65) MAOBALDH1A1KDM4EHPGDGAA
Giparmen SCHEMBL2109323 0.77 ALDH1A1 (1.00) MAOBALDH1A1KDM4EHPGDGAA
SCHEMBL29557901 0.74 ALDH1A1 (0.78) MAOBALDH1A1KDM4EHPGDGAA
SCHEMBL66273 0.74 ALDH1A1 (0.78) MAOBALDH1A1KDM4EHPGDGAA
SCHEMBL26195631 0.73 KDM4E (0.69) MAOBALDH1A1KDM4EHPGDGAA
SCHEMBL2467096 0.72 HRH3 (0.69) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7044951 0.72 XDH (0.56) MAOBALDH1A1KDM4EACHEMAOA

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-4151291-A ANALGESICS UNICLER (FR) 1979-04-24 US disclosed