SCHEMBL9728650

SCHEMBL9728650

CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1-n1nnn(C(C)C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.36
MCL1 Q07820 2/20 0.36
FAAH O00519 3/20 0.35
MGLL Q99685 4/20 0.34
ROCK2 O75116 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
PTGS1 P23219 1/20 0.33
LMNA P02545 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
GSTP1 P09211 1/20 0.32
P2RX3 P56373 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MDM2 Q00987 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL9728689 0.85 BCL2 (0.33) BCL2MCL1FAAHMGLLPTGS1
SCHEMBL9728553 0.79 DPP4 (0.42) FAAHMGLLROCK2PTGS1LMNA
SCHEMBL9729023 0.78 BCL2 (0.36) BCL2MCL1FAAHMGLLKDM5B
SCHEMBL9728513 0.72 TSHR (0.36) BCL2MCL1MGLLLMNAALDH1A1
SCHEMBL9729385 0.72 KDM5A (0.32)
SCHEMBL14600368 0.71 ROCK2 (0.49) ROCK2LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL5076801 0.66 BCL2 (0.57) BCL2MCL1FAAHPTGS1LMNA
SCHEMBL4360185 0.66 MEN1 (0.47) BCL2MCL1PTGS1ALDH1A1SMN1; SMN2
SCHEMBL8845356 0.65 BCL2 (0.41) BCL2MCL1PTGS1GSTP1ALDH1A1
Hydrochloric Acid SCHEMBL9364864 0.65 MEN1 (0.50) BCL2MCL1PTGS1ALDH1A1SMN1; SMN2

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