SCHEMBL11011985

SCHEMBL11011985

CC(C)=CC(=O)OCCCl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PRKCA P17252 1/20 0.33

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
SCHEMBL7440854 0.83 ATM (0.33) ALDH1A1TSHRALOX15ATMNPSR1
SCHEMBL10651517 0.81
SCHEMBL2113072 0.81 MEN1 (0.38) TSHRATMNPSR1MEN1KMT2A
SCHEMBL19847299 0.79 TSHR (0.54) L3MBTL1ALDH1A1TSHRALOX15ATM
SCHEMBL3120720 0.79 HCAR2 (0.54) L3MBTL1ALDH1A1TSHRALOX15ATM
SCHEMBL10655043 0.77 TSHR (0.40) L3MBTL1ALDH1A1TSHRALOX15ATM
SCHEMBL27525497 0.77 TSHR (0.40) L3MBTL1ALDH1A1TSHRALOX15ATM
SCHEMBL15482569 0.77 TSHR (0.40) L3MBTL1ALDH1A1TSHRALOX15ATM
SCHEMBL15482568 0.77 SMN1; SMN2 (0.40) L3MBTL1ALDH1A1TSHRALOX15ATM
SCHEMBL4674171 0.76

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-0132814-A1 Ester derivative of substituted acetic acid and preparing the same Kaken Pharmaceutical Co., Ltd. (JP) 1985-02-13 EP disclosed
EP-0103265-A2 Biphenylylpropionic acid derivative, process for preparing the same and pharmaceutical composition containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1984-03-21 EP disclosed