SCHEMBL2107176

SCHEMBL2107176

C[C@H](c1ccc(CO)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
ALOX5 P09917 3/20 0.39
PTGS1 P23219 4/20 0.37
PTGS2 P35354 4/20 0.37
LMNA P02545 3/20 0.37
CYP2C9 P11712 2/20 0.37
AKR1C3 P42330 2/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
ALB P02768 1/20 0.37
ESR1 P03372 1/20 0.37
RARB P10826 1/20 0.37
ADRB3 P13945 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR2A P28223 1/20 0.37
NR1I3 Q14994 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
CXCL8 P10145 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2239284 1.00 PPARA (0.41) PPARAPPARGALOX5PTGS1PTGS2
SCHEMBL2196410 0.83 RIPK1 (0.37) ALOX5LMNATSHRMEN1KMT2A
SCHEMBL2195384 0.83 RIPK1 (0.37) ALOX5LMNATSHRMEN1KMT2A
SCHEMBL2429212 0.81 ESR1 (0.42) ALOX5PTGS1LMNACYP2C9ESR1
SCHEMBL1448846 0.81 ESR1 (0.42) ALOX5PTGS1LMNACYP2C9ESR1
SCHEMBL1270470 0.80 ALOX5 (0.51) ALOX5LMNAMEN1KMT2AALDH1A1
SCHEMBL2576026 0.80 ALOX5 (0.51) ALOX5LMNAMEN1KMT2AALDH1A1
SCHEMBL2197076 0.80 ALOX5 (0.51) ALOX5LMNAMEN1KMT2AALDH1A1
SCHEMBL2202724 0.79 ALOX5 (0.43) PPARAPPARGALOX5TSHRMEN1
SCHEMBL2198695 0.79 MAPT (0.39) ALOX5LMNACYP2C9KMT2AALDH1A1

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-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed