SCHEMBL11228541

SCHEMBL11228541

CCCc1ccc([N+](=O)[O-])c(OC(=O)Oc2cc(CCC)ccc2[N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
MAPT P10636 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
TTR P02766 1/20 0.38
HTT P42858 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
SCHEMBL4046420 0.83 TTR (0.49) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL4055160 0.82 SMN1; SMN2 (0.40) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL28075538 0.77 CYP3A4 (0.52) ALOX5MAPTCYP3A4ABCG2ALDH1A1
SCHEMBL6794871 0.76 ALOX15 (0.50) ALOX5MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL11225857 0.76 ALDH1A1 (0.51) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL25299267 0.75 NPC1 (0.56) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL11220527 0.75 NCEH1 (0.46) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL21412681 0.74 MAPT (0.50) MAPTCYP3A4ABCG2SMN1; SMN2ALDH1A1
SCHEMBL8973887 0.74 SMN1; SMN2 (0.57) CYP1A2CYP2C19SMN1; SMN2ALDH1A1KMT2A
SCHEMBL19122730 0.73 PPARG (0.55) MAPTCYP1A2CYP3A4CYP2C19ALDH1A1

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