SCHEMBL996468

SCHEMBL996468

COC(=O)c1ccccc1C(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CFTR P13569 1/20 0.55
KDM4E B2RXH2 3/20 0.53
ATM Q13315 2/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 3/20 0.50
GAA P10253 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA9 Q16790 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
SLC6A3 Q01959 4/20 0.47
MYC P01106 1/20 0.47
SLC6A4 P31645 2/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL16843152 0.86 KDM4E (0.60) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL254882 0.86 TSHR (0.59) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL27677245 0.85 ALDH1A1 (0.56) TSHRLMNAALDH1A1HSD17B10CFTR
Hydrogen Peroxide SCHEMBL28473316 0.84 TSHR (0.57) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL13366640 0.83 KDM4E (0.50) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL2662050 0.83 TSHR (0.52) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL6653926 0.82 TSHR (0.55) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL465679 0.82 LMNA (0.55) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL12687104 0.82 LMNA (0.50) TSHRLMNAALDH1A1HSD17B10CFTR
SCHEMBL9030811 0.82 LMNA (0.50) TSHRLMNAALDH1A1HSD17B10CFTR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170130172-A1 ENCAPSULATES PROCTER & GAMBLE (US) 2017-05-11 US disclosed
EP-2272541-A1 AROMATIC AGENT COMPOSITION FOR OPENABLE STORAGE SPACE Kobayashi Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP disclosed
EP-2263700-A1 AROMATIC AGENT COMPOSITION FOR OPENABLE STORAGE SPACE Kobayashi Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP disclosed