SCHEMBL9729023

SCHEMBL9729023

CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1-n1nn[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.36
MCL1 Q07820 2/20 0.36
LMNA P02545 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MGLL Q99685 4/20 0.34
AADAT Q8N5Z0 1/20 0.34
THRB P10828 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
NTRK1 P04629 3/20 0.34
NTRK2 Q16620 3/20 0.34
IGF1R P08069 2/20 0.34
FGFR1 P11362 2/20 0.34
NTRK3 Q16288 2/20 0.34
PTGS1 P23219 1/20 0.34
FAAH O00519 3/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
GSTP1 P09211 1/20 0.33
MDM2 Q00987 1/20 0.32

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
SCHEMBL9728529 0.84 XIAP (0.36) THRB
SCHEMBL9728104 0.80 DAO (0.40) LMNAMGLLPTGS1FAAH
SCHEMBL9728650 0.78 BCL2 (0.36) BCL2MCL1LMNAKDM5BMGLL
SCHEMBL8600506 0.76 MGLL (0.49) MGLLNTRK1NTRK2IGF1RFGFR1
SCHEMBL9728689 0.75 BCL2 (0.33) BCL2MCL1MGLLPTGS1FAAH
SCHEMBL9728513 0.71 TSHR (0.36) BCL2MCL1LMNAMGLLMDM2
SCHEMBL18504314 0.69 NOTUM (0.43) BCL2MCL1FGFR1MDM2
SCHEMBL9728279 0.68 LCK (0.34) LMNA
SCHEMBL5076801 0.67 BCL2 (0.57) BCL2MCL1LMNATHRBPTGS1
SCHEMBL4360185 0.67 MEN1 (0.47) BCL2MCL1PTGS1MAOAMAOB

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-5138068-A Pesticide CIBA-GEIGY CORPORATION (US) 1992-08-11 US claimed