SCHEMBL11209498

SCHEMBL11209498

CC(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCO

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.52
PTPN1 P18031 4/20 0.49
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
PTPN2 P17706 1/20 0.45
SRC P12931 1/20 0.43
AVPR1A P37288 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL11207112 0.83 GRIA1 (0.59) GRIA1PTPN1CTSSCTSKSRC
SCHEMBL10608759 0.82 CTSS (0.67) GRIA1PTPN1CTSSCTSKSRC
SCHEMBL11209492 0.81 LMNA (0.48) PTPN1LMNASMN1; SMN2CTSSCTSK
SCHEMBL8406437 0.79 CA2 (0.60) PTPN1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL11208510 0.79 CA2 (0.60) PTPN1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL10604163 0.79 CA2 (0.60) PTPN1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7065015 0.77 MGLL (0.48) GRIA1PTPN1ALDH1A1
SCHEMBL16316818 0.77 MEN1 (0.48) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6139152 0.77 MEN1 (0.48) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11205081 0.77 MEN1 (0.48) LMNAALDH1A1SMN1; SMN2MEN1KMT2A

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-0094844-A2 Drug-carrier conjugates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1983-11-23 EP disclosed