SCHEMBL11227633

SCHEMBL11227633

CCCCc1ccc(OC(=O)Oc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALPG P10696 1/20 0.45
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
GPR55 Q9Y2T6 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PLA2G4B P0C869 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL12121503 0.81 PLK1 (0.47) MAPTALPGALDH1A1NPSR1LMNA
SCHEMBL11226456 0.79 ALDH1A1 (0.50) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL11225857 0.78 ALDH1A1 (0.51) MAPTALPGALDH1A1NPSR1LMNA
SCHEMBL247374 0.78 THRB (0.56) ALDH1A1
SCHEMBL11653500 0.76 MAPT (0.44) MAPTALPGALDH1A1NPSR1LMNA
SCHEMBL11226152 0.76 PDE7A (0.50) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5704376 0.75 KMT2A (0.54) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL248390 0.74 THRB (0.63) MAPTALDH1A1MEN1KMT2A
SCHEMBL9062019 0.74 LMNA (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11228541 0.73 ALOX5 (0.45) MAPTALDH1A1LMNAMEN1KMT2A

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-4363905-A PHASE TRANSFER CATALYST GENERAL ELECTRIC COMPANY (US) 1982-12-14 US disclosed
US-4316981-A Polycarbonate transesterification GENERAL ELECTRIC COMPANY (US) 1982-02-23 US disclosed