SCHEMBL11380622

SCHEMBL11380622

CC#CCn1c(=O)c(C(=O)OCC)c(O)c2cc(OC)c(OC)cc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ LMNA P02545 5/20 0.45
▸ HTT P42858 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.40
▸ RAD52 P43351 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11639817 0.88 RXFP1 (0.45) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL11372185 0.86 RXFP1 (0.42) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL11377362 0.84 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL11377101 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL11393959 0.81 LMNA (0.67) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL11388773 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL11375460 0.80 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5331127 0.80 KDM4E (0.58) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL11383233 0.80 LMNA (0.53) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL11385764 0.75 LMNA (0.65) ALDH1A1SMN1; SMN2KDM4ELMNAHTT

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-4273930-A INTERMEDIATES FOR THE 4-ALKOXY ANTIALLERGENS SANDOZ, INC. (US) 1981-06-16 — — US disclosed
US-4190659-A ANTIALLERGENS, ANTIHISTAMINES SANDOZ, INC. (US) 1980-02-26 — — US disclosed
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