SCHEMBL11025484

SCHEMBL11025484

C=C(CCCc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP2C19 P33261 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.48
KCNJ1 P48048 2/20 0.47
SIGMAR1 Q99720 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNH2 Q12809 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CRHBP P24387 1/20 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
SCHEMBL11025399 0.95 TSHR (0.51) TSHRMAPTALDH1A1CYP2C19HTT
SCHEMBL1628272 0.90 TSHR (0.56) TSHRMAPTALDH1A1CYP2C19HTT
SCHEMBL14397047 0.85 TSHR (0.58) TSHRMAPTALDH1A1CYP2C19HTT
SCHEMBL11023983 0.84 PKM (0.43) TSHRMAPTALDH1A1CYP2C19HTT
SCHEMBL135651 0.83 TSHR (0.59) TSHRMAPTALDH1A1CYP2C19HTT
Hydrochloric Acid SCHEMBL5030930 0.82 TSHR (0.58) TSHRMAPTALDH1A1CYP2C19HTT
SCHEMBL8898093 0.80 TSHR (0.59) TSHRMAPTALDH1A1CYP2C19HTT
SCHEMBL2850348 0.80 TSHR (0.59) TSHRMAPTALDH1A1CYP2C19HTT
SCHEMBL1626556 0.80 CYP2C19 (0.61) TSHRMAPTALDH1A1CYP2C19HTT
SCHEMBL11760068 0.79 TSHR (0.54) TSHRMAPTALDH1A1CYP2C19HTT

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
EP-0067954-B1 ORGANIC PHOTOCONDUCTIVE COMPOSITIONS FOR ELECTROPHOTOGRAPHY KABUSHIKI KAISHA TOSHIBA (JP) 1985-08-28 EP claimed