SCHEMBL8704124

SCHEMBL8704124

Cc1cc(C)c(C(O)C(=O)C2CC(C(=O)O)CC2C(=O)C(O)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.34
IGFBP3 P17936 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL8704432 0.93 AKR1C3 (0.33) RECQLIGFBP3CA12CA1CA2
SCHEMBL8708069 0.84 RECQL (0.34) RECQLKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL8703675 0.84 CHRNB2 (0.35) CA1CA2CA4CA7CA9
SCHEMBL8704130 0.81 POLB (0.39) KDM4EPOLB
SCHEMBL8707381 0.81 RECQL (0.32) RECQLIGFBP3KCNQ3KCNQ2KCNQ4
SCHEMBL8708022 0.80 MEN1 (0.33) KCNQ3KCNQ2KCNQ4KCNQ5SLC6A2
SCHEMBL8709038 0.78 POLB (0.39) KDM4EPOLB
SCHEMBL8704018 0.78 AKR1C3 (0.33) RECQLKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL28799205 0.72 KDM4E (0.41) IGFBP3CA1CA2KDM4ESLC6A2
SCHEMBL29030339 0.72 KDM4E (0.41) IGFBP3CA1CA2KDM4ESLC6A2

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