SCHEMBL7561593

SCHEMBL7561593

CC(C)Cc1ccc(C(CC(=O)O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.52
PTGS2 P35354 5/20 0.50
PTGS1 P23219 4/20 0.50
LMNA P02545 3/20 0.50
CYP2C9 P11712 2/20 0.50
AKR1C3 P42330 2/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
ALOX5 P09917 2/20 0.50
ALB P02768 1/20 0.50
ESR1 P03372 1/20 0.50
RARB P10826 1/20 0.50
ADRB3 P13945 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR2A P28223 1/20 0.50
NR1I3 Q14994 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
CXCL8 P10145 1/20 0.50
TSHR P16473 1/20 0.50
AKR1C2 P52895 1/20 0.50

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
SCHEMBL6474872 0.86 KMT2A (0.56) LMNAMEN1KMT2ANPC1ALDH1A1
SCHEMBL5715396 0.83 LOXL2 (0.55) FAAHPTGS2LMNATSHRMEN1
SCHEMBL13643086 0.82 KMT2A (0.53) LMNAHTR2ATSHRMEN1KMT2A
SCHEMBL11123380 0.79 CPA1 (0.62) LMNATSHRMEN1KMT2AALDH1A1
SCHEMBL5690769 0.79 FFAR1 (0.53) LMNAMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL3714135 0.79 FFAR1 (0.53) LMNAMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL27787627 0.78 ALDH1A1 (0.48) LMNANFKB1MEN1KMT2ANPC1
SCHEMBL27547145 0.77 CYP2C19 (0.49) LMNATSHRMEN1KMT2ANPC1
SCHEMBL7258068 0.77 KMT2A (0.51) LMNATSHRMEN1KMT2ANPC1
SCHEMBL2032022 0.76 DPP4 (0.57) LMNATSHRMEN1KMT2ANPC1

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
US-20020177180-A1 pH-indicator based assay for selective enzymes THERMOGEN, INC. 2002-11-28 US disclosed