SCHEMBL8707381

SCHEMBL8707381

COC(C(=O)C1CC(C(=O)O)CC1C(=O)C(OC)c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.32
IGFBP3 P17936 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNQ4 P56696 1/20 0.30
KCNQ5 Q9NR82 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
SCHEMBL8704643 0.84 PDE4A (0.33) RECQL
SCHEMBL8708068 0.84 KDM4E (0.36) RECQL
SCHEMBL8710260 0.84 POLB (0.38)
SCHEMBL8704704 0.82 TSHR (0.37) RECQL
SCHEMBL8705515 0.82 GAA (0.40) RECQL
SCHEMBL8704124 0.81 RECQL (0.34) RECQLIGFBP3KCNQ3KCNQ2KCNQ4
SCHEMBL8708069 0.81 RECQL (0.34) RECQLKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL8709784 0.75 TAS1R3 (0.38) KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL8703644 0.75 MEN1 (0.34) KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL8704018 0.74 AKR1C3 (0.33) RECQLKCNQ3KCNQ2KCNQ4KCNQ5

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