SCHEMBL7475016

SCHEMBL7475016

CCC(=O)c1ccoc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.38
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C19 P33261 2/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HMGCR P04035 1/20 0.33
MAPT P10636 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
UBE2N P61088 1/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR2 Q92731 2/20 0.31
ESR1 P03372 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL11776687 0.81 TSHR (0.31) TSHR
SCHEMBL30671962 0.79 CHRM2 (0.37) TSHRKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2872850 0.77 TSHR (0.50) TSHRKMT2ASMN1; SMN2ALDH1A1CA9
SCHEMBL548142 0.76 KMT2A (0.40) KMT2ASMN1; SMN2ALDH1A1CA9LMNA
Ethylene SCHEMBL28215210 0.76 CHRM2 (0.36) TSHRKMT2ASMN1; SMN2POLBMEN1
SCHEMBL9179871 0.75 ALDH1A1 (0.53) TSHRKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL12709976 0.75 TSHR (0.53) TSHRKMT2ASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL11386832 0.75 HSP90AB1 (0.41) HSP90AB1TSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7228617 0.74 ALDH1A1 (0.43) TSHRKMT2ASMN1; SMN2ALDH1A1CA9
Acetic Acid SCHEMBL10454970 0.73 KMT2A (0.32) TSHRKMT2AALDH1A1CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed