SCHEMBL8635894

SCHEMBL8635894

COc1cc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)C2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 3/20 0.53
LMNA P02545 2/20 0.51
MAPK7 Q13164 1/20 0.51
GAA P10253 1/20 0.50
PDE4B Q07343 1/20 0.50
ALDH1A1 P00352 5/20 0.49
PKM P14618 1/20 0.49
CYP1A2 P05177 1/20 0.49
ROCK2 O75116 1/20 0.48
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
HTT P42858 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDE2A O00408 1/20 0.48
POLB P06746 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL8355588 0.89 KMT2A (0.54) PROKR1LMNAGAAPDE4BALDH1A1
SCHEMBL8636998 0.86 ALDH1A1 (0.65) PROKR1LMNAGAAPDE4BALDH1A1
SCHEMBL8351152 0.85 ALDH1A1 (0.64) LMNAGAAPDE4BALDH1A1CYP1A2
SCHEMBL8352641 0.84 PDE4B (0.65) LMNAGAAPDE4B
SCHEMBL8640754 0.83 PDE4B (0.53) GAAPDE4BALDH1A1CYP1A2ROCK2
SCHEMBL8640542 0.81 PDE4B (0.56) LMNAGAAPDE4BALDH1A1CYP1A2
SCHEMBL8347627 0.81 PDE4B (0.53) LMNAGAAPDE4BALDH1A1CYP1A2
SCHEMBL8638316 0.80 SCD5 (0.55) GAAPDE4BALDH1A1CYP1A2ROCK2
SCHEMBL8638632 0.78 PDE4B (0.53) LMNAGAAPDE4BALDH1A1CYP1A2
SCHEMBL724938 0.78 ALDH1A1 (0.71) LMNAGAAALDH1A1CYP1A2UBE2M

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-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed