SCHEMBL8704643

SCHEMBL8704643

COC(C(=O)C1CCC(C(=O)O)C1)c1c(C)cc(C)cc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RECQL P46063 1/20 0.31
KCNK2 O95069 1/20 0.31
KCNK4 Q9NYG8 1/20 0.31
ALDH1A1 P00352 4/20 0.31
TSHR P16473 1/20 0.31
CYP2C9 P11712 1/20 0.31
ACE P12821 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8704704 0.95 TSHR (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8708068 0.92 KDM4E (0.36) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8703644 0.88 MEN1 (0.34) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8707381 0.84 RECQL (0.32) RECQL
SCHEMBL8703624 0.84 POLB (0.39) MEN1KMT2AALDH1A1TSHR
SCHEMBL8707410 0.83 POLB (0.38) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL8707678 0.82 HSP90AA1 (0.38) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8707208 0.81 MEN1 (0.36) AKR1C3AKR1C1MEN1KMT2ANPC1
SCHEMBL8705515 0.81 GAA (0.40) MEN1KMT2ARECQLALDH1A1TSHR
SCHEMBL8704066 0.80 POLB (0.41) MEN1KMT2ANPC1RAB9AALDH1A1

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