SCHEMBL9179752

SCHEMBL9179752

O=C1C2CC=CCC2C(=O)N1CCCS

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA4 P22748 1/20 0.45
ATM Q13315 1/20 0.44
TP53 P04637 2/20 0.44
HTR7 P34969 1/20 0.41
CA12 O43570 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 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
SCHEMBL9179747 1.00 ALDH1A1 (0.47) ALDH1A1TDP1KMT2AMEN1ESR1
SCHEMBL21168596 0.86 ALDH1A1 (0.61) ALDH1A1TDP1KMT2AMEN1ESR1
SCHEMBL17532418 0.83 ALDH1A1 (0.57) ALDH1A1TDP1KMT2AMEN1ESR1
SCHEMBL9181566 0.81 HTT (0.54) ALDH1A1TDP1KMT2AMEN1ESR1
SCHEMBL13606476 0.81 SMN1; SMN2 (0.50) ALDH1A1TDP1KMT2AMEN1ESR1
SCHEMBL4537122 0.81 ALDH1A1 (0.51) ALDH1A1TDP1KMT2AMEN1ESR1
SCHEMBL5427844 0.81 ALDH1A1 (0.47) ALDH1A1TDP1KMT2AMEN1ESR1
SCHEMBL9181557 0.81 HTT (0.54) ALDH1A1TDP1KMT2AMEN1ESR1
SCHEMBL11860195 0.79 ALDH1A1 (0.50) ALDH1A1TDP1KMT2AMEN1ESR1
SCHEMBL9513818 0.79 ALDH1A1 (0.50) ALDH1A1TDP1KMT2AMEN1ESR1

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