SCHEMBL4817110

SCHEMBL4817110

O=[N+]([O-])c1cc(COCCCCCCCCCCCCO)cc([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CYP19A1 P11511 1/20 0.37
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX5 P09917 1/20 0.34
LMNA P02545 1/20 0.34
IDO1 P14902 1/20 0.33
AKR1C3 P42330 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL15137522 0.84 ALDH1A1 (0.40) TSHRCYP19A1CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL9232194 0.83 TSHR (0.54) TSHRALDH1A1IDO1AKR1C3
SCHEMBL926393 0.79 TSHR (0.51) TSHRALDH1A1LMNA
SCHEMBL22121179 0.78 TSHR (0.56) TSHRSMN1; SMN2ALDH1A1LMNAIDO1
SCHEMBL14337755 0.77 F2RL3 (0.42) TSHRCYP19A1ALOX5LMNAIDO1
SCHEMBL15137473 0.74 CYP19A1 (0.39) TSHRCYP19A1CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL679252 0.74 ESR1 (0.53) CYP3A4SMN1; SMN2ALOX5AKR1C3TDP1
SCHEMBL5093977 0.73 MAOB (0.45) TSHRALDH1A1LMNAPKM
SCHEMBL26343368 0.72 SMN1; SMN2 (0.42) CYP19A1CYP3A4SMN1; SMN2ALDH1A1ALOX5
SCHEMBL925746 0.72 TSHR (0.54) TSHRALDH1A1LMNA

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-7396898-B2 Diamine, acid dianhydride, and reactive group containing polyimide composition prepared therefrom and process of preparing them KANEKA CORPORATION (JP) 2008-07-08 US disclosed
US-20040158030-A1 Diamine, acid dianhydride, polymide composition having reactive group obtained therefrom, and processes for producing these KANEKA CORPORATION (JP) 2004-08-12 US disclosed