SCHEMBL8046472

SCHEMBL8046472

CC(C)=CCOC(=O)COc1ccc(CBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.45
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NDUFS8 O00217 1/20 0.39
COXFA4 O00483 1/20 0.39
NDUFAB1 O14561 1/20 0.39
NDUFA1 O15239 1/20 0.39
NDUFS4 O43181 1/20 0.39
NDUFB5 O43674 1/20 0.39
NDUFB3 O43676 1/20 0.39
NDUFC1 O43677 1/20 0.39
NDUFA2 O43678 1/20 0.39
NDUFS5 O43920 1/20 0.39
NDUFS7 O75251 1/20 0.39

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
SCHEMBL8045370 0.89 GAA (0.49) TRPV1GAANPSR1MEN1KMT2A
SCHEMBL8035861 0.87 TRPV1 (0.46) TRPV1GAANPSR1MEN1KMT2A
SCHEMBL8035873 0.87 TRPV1 (0.46) TRPV1GAANPSR1MEN1KMT2A
SCHEMBL8091887 0.82 KDM4E (0.49) GAANPSR1MEN1KMT2ACYP1A2
SCHEMBL8045270 0.81 MEN1 (0.42) GAANPSR1MEN1KMT2ACYP1A2
SCHEMBL8045382 0.81 GAA (0.43) TRPV1GAANPSR1MEN1KMT2A
SCHEMBL8035505 0.81 GAA (0.42) TRPV1GAANPSR1MEN1KMT2A
SCHEMBL8045275 0.81 MEN1 (0.42) GAANPSR1MEN1KMT2ACYP1A2
SCHEMBL7228178 0.80 GAA (0.62) GAANPSR1SMN1; SMN2MAPT
SCHEMBL8053320 0.80 GAA (0.44) TRPV1GAANPSR1MEN1KMT2A

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
US-6010826-A Resist composition NIPPON ZEON CO., LTD. (JP) 2000-01-04 US disclosed
EP-0786701-A1 RESIST COMPOSITION NIPPON ZEON CO., LTD. (JP) 1997-07-30 EP disclosed