SCHEMBL14183003

SCHEMBL14183003

O=C(Nc1ccc(-c2cc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ GRM2 Q14416 1/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ CA12 O43570 2/20 0.49
▸ CNR2 P34972 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ STS P08842 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ ENPP3 O14638 2/20 0.43

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
SCHEMBL14182642 0.91 GRM2 (0.52) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14183008 0.90 ITK (0.48) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14183014 0.90 ITK (0.48) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14182999 0.90 ITK (0.48) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14182801 0.90 ALDH1A1 (0.46) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14183000 0.87 RAB9A (0.52) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14183011 0.87 ALDH1A1 (0.43) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14182922 0.86 ALDH1A1 (0.46) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14213403 0.85 ALDH1A1 (0.42) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14182803 0.84 ALDH1A1 (0.43) ALDH1A1KDM4ETP53HPGDGRM2

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-7375118-B2 Phenyl-indole compounds for modulating IgE and Inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2008-05-20 — — US disclosed
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