SCHEMBL11273135

SCHEMBL11273135

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IDO1 P14902 3/20 0.42
EPHX1 P07099 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 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
SCHEMBL11273163 1.00 LOXL2 (0.46) LOXL2KMT2AMEN1TSHRCYP2C19
SCHEMBL28780363 0.81 LOXL2 (0.42) LOXL2KMT2AMEN1TSHRCYP2C19
SCHEMBL28136599 0.80 SMN1; SMN2 (0.58) TSHRCYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL6981342 0.80 SMN1; SMN2 (0.58) TSHRCYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL11265928 0.80 SMN1; SMN2 (0.58) TSHRCYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL5171078 0.80 EPHX1 (0.44) KMT2AMEN1CYP2C19CYP1A2SMN1; SMN2
SCHEMBL3413763 0.80 EPHX1 (0.44) KMT2AMEN1CYP2C19CYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL17262536 0.79 SMN1; SMN2 (0.56) TSHRCYP1A2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7744795 0.78 CYP2C19 (0.46) LOXL2TSHRCYP2C19CYP1A2NPC1
Hydrochloric Acid SCHEMBL7744797 0.78 CYP2C19 (0.46) LOXL2TSHRCYP2C19CYP1A2NPC1

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-4339589-A Preparation of 4-substituted oxazolidin-5-ones BASF AKTIENGESELLSCHAFT (DE) 1982-07-13 US disclosed
US-4264771-A Alkylation of substituted oxazolinone-(5) compounds BASF AKTIENGESELLSCHAFT (DE) 1981-04-28 US disclosed