SCHEMBL6664136

SCHEMBL6664136

CC[C@@H](Oc1ccccc1O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
PPARA Q07869 10/20 0.46
PPARG P37231 9/20 0.46
LTB4R Q15722 1/20 0.45
TSHR P16473 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.40
JAK2 O60674 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL17633012 1.00 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGLTB4RTSHR
SCHEMBL6135512 0.84 TSHR (0.40) SMN1; SMN2PPARAPPARGLTB4RTSHR
SCHEMBL11068097 0.84 PPARA (0.51) SMN1; SMN2PPARAPPARGLTB4RKMT2A
SCHEMBL10741839 0.83 THRB (0.49) SMN1; SMN2PPARAPPARGLTB4RTSHR
SCHEMBL8935961 0.83 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGLTB4RTSHR
SCHEMBL3879629 0.83 SMN1; SMN2 (0.57) SMN1; SMN2PPARAPPARGTSHR
SCHEMBL4650644 0.83 KMT2A (0.62) SMN1; SMN2PPARAPPARGTSHRCA1
SCHEMBL8935641 0.83 SMN1; SMN2 (0.57) SMN1; SMN2PPARAPPARGTSHR
SCHEMBL8935639 0.83 KMT2A (0.62) SMN1; SMN2PPARAPPARGTSHRCA1
SCHEMBL5861928 0.83 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGLTB4RTSHR

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
EP-1447102-A1 Cyclohexylethan-1-yl ester mixtures as malodour counteractants and methods for using same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2004-08-18 EP claimed
EP-1447102-A1 Cyclohexylethan-1-yl ester mixtures as malodour counteractants and methods for using same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2004-08-18 EP disclosed