SCHEMBL8710260

SCHEMBL8710260

CCOC(=O)C1CC(C(=O)C(OC)c2c(C)cc(C)cc2C)C(C(=O)C(OC)c2c(C)cc(C)cc2C)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
CA12 O43570 3/20 0.35
NLRP3 Q96P20 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
MDM2 Q00987 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 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
SCHEMBL8703624 0.86 POLB (0.39) POLBKDM4EALDH1A1KMT2AMAPT
SCHEMBL8704310 0.86 POLB (0.43) POLBKDM4EALDH1A1KMT2AMAPT
SCHEMBL8705320 0.84 POLB (0.39) POLBKDM4EALDH1A1KMT2ANLRP3
SCHEMBL8704130 0.84 POLB (0.39) POLBKDM4EALDH1A1KMT2ANLRP3
SCHEMBL8704066 0.84 POLB (0.41) POLBKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL8707381 0.84 RECQL (0.32)
SCHEMBL8708010 0.84 TAS1R3 (0.38) POLBKDM4EALDH1A1KMT2ACA1
SCHEMBL8708107 0.79 POLB (0.39) POLBKDM4EALDH1A1KMT2AMAPT
SCHEMBL8709038 0.79 POLB (0.39) POLBKDM4EALDH1A1KMT2AMAPT
SCHEMBL8703644 0.74 MEN1 (0.34) POLBALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed