SCHEMBL9181566

SCHEMBL9181566

O=C1C2CC=CCC2C(=O)N1CCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 6/20 0.50
ATM Q13315 1/20 0.48
KMT2A Q03164 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
RECQL P46063 2/20 0.47
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
PABPC1 P11940 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL9181557 1.00 HTT (0.54) HTTTSHRHSD17B10USP2ALDH1A1
SCHEMBL5878378 0.88 ALDH1A1 (0.50) HTTTSHRHSD17B10ALDH1A1ATM
SCHEMBL21168596 0.86 ALDH1A1 (0.61) ALDH1A1ATMKMT2ATDP1MEN1
SCHEMBL17532418 0.83 ALDH1A1 (0.57) HTTTSHRHSD17B10USP2ALDH1A1
SCHEMBL2768849 0.82 HTT (0.59) HTTTSHRHSD17B10USP2ALDH1A1
SCHEMBL5427844 0.81 ALDH1A1 (0.47) HSD17B10USP2ALDH1A1ATMKMT2A
SCHEMBL9179752 0.81 ALDH1A1 (0.47) HSD17B10USP2ALDH1A1ATMKMT2A
SCHEMBL4537122 0.81 ALDH1A1 (0.51) HTTTSHRHSD17B10USP2ALDH1A1
SCHEMBL9179747 0.81 ALDH1A1 (0.47) HSD17B10USP2ALDH1A1ATMKMT2A
SCHEMBL13606476 0.81 SMN1; SMN2 (0.50) HSD17B10USP2ALDH1A1ATMKMT2A

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-5411869-A For immunoassay of captan by incubation with a labeled captan standard, a captan standard and an antibody to captan and comparing with calibrated standard OHMICRON CORPORATION (US) 1995-05-02 US disclosed
EP-0628028-A1 IMMUNOLOGICAL ANALOGS FOR CAPTAN OHMICRON CORPORATION (US) 1994-12-14 EP disclosed
WO-1993015050-A1 IMMUNOLOGICAL ANALOGS FOR CAPTAN OHMICRON CORPORATION (US) 1993-08-05 WO disclosed