SCHEMBL11244690

SCHEMBL11244690

CC(C)C(NC(=O)O)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.44
CTSA P10619 4/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ACP3 P15309 1/20 0.40
NPC1 O15118 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CASP1 P29466 1/20 0.40
HDAC1 Q13547 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MT-CO2 P00403 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
PLA2G1B P04054 1/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL15067585 0.88 ADRB2 (0.45) CXCL8CTSAADRB2ADRB1ACP3
SCHEMBL15067442 0.88 ADRB2 (0.45) CXCL8CTSAADRB2ADRB1ACP3
SCHEMBL15067895 0.88 ADRB2 (0.45) CXCL8CTSAADRB2ADRB1ACP3
SCHEMBL15067314 0.84 POLB (0.41) CXCL8CTSAADRB2ADRB1CASP1
SCHEMBL27992133 0.81 CASP1 (0.46) CTSAADRB2ADRB1ALDH1A1CASP1
SCHEMBL28990607 0.81 LPAR1 (0.41) CXCL8CTSAADRB2ADRB1ALDH1A1
SCHEMBL28478888 0.81 LPAR1 (0.41) CXCL8CTSAADRB2ADRB1ALDH1A1
SCHEMBL28041525 0.78 CTSA (0.39) CXCL8CTSAADRB2ADRB1ALDH1A1
SCHEMBL3008040 0.78 ADRB2 (0.45) CXCL8CTSAADRB2ADRB1ACP3
SCHEMBL3008042 0.78 ADRB2 (0.45) CXCL8CTSAADRB2ADRB1ACP3

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-4319018-A IN ACID CATALYST MITSUI TOATSU CHEMICALS, INC. (JP) 1982-03-09 US disclosed