SCHEMBL11818406

SCHEMBL11818406

CCOC(=O)c1c(O)c2cc(OC)c(C3CCCCC3)cc2n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ TSHR P16473 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX5 P09917 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
SCHEMBL11375460 0.84 ALDH1A1 (0.63) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL11816205 0.79 KDM5A (0.47) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL11815260 0.74 LMNA (0.53) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL11377101 0.74 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2HTTLMNA
SCHEMBL11383580 0.73 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL11377362 0.72 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2KMT2AHTT
SCHEMBL11812543 0.71 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2KMT2AHTT
SCHEMBL11821942 0.71 NPSR1 (0.47) ALDH1A1KDM4ESMN1; SMN2KMT2APOLB
SCHEMBL11816514 0.71 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2KMT2AHTT
SCHEMBL11638740 0.71 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A

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-3960868-A Derivatives of 6,7 or 8 cycloalkyl 4-oxo quinoline 3 carboxylic acid CIBA-GEIGY CORPORATION (US) 1976-06-01 — — US disclosed
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