SCHEMBL20060388

SCHEMBL20060388

CC(=O)c1ccc(F)cc1OCC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.47
MAOA P21397 3/20 0.47
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
SSTR4 P31391 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
MRGPRX1 Q96LB2 1/20 0.37

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
SCHEMBL7345338 0.88 ALDH1A1 (0.49) MAOBMAOAALDH1A1KMT2ASMN1; SMN2
SCHEMBL30628273 0.82 CYP3A4 (0.61) MAOBMAOAALDH1A1KMT2ASMN1; SMN2
SCHEMBL4271221 0.82 CYP3A4 (0.61) MAOBMAOAALDH1A1KMT2ASMN1; SMN2
SCHEMBL1639299 0.80 LMNA (0.62) ALDH1A1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL18329451 0.80 MAOB (0.43) MAOBMAOAALDH1A1KMT2ASMN1; SMN2
SCHEMBL13637553 0.79 LMNA (0.52) MAOBMAOAALDH1A1KMT2ASMN1; SMN2
SCHEMBL4200539 0.79 MAOB (0.48) MAOBMAOAALDH1A1KMT2ASMN1; SMN2
SCHEMBL3846283 0.78 LMNA (0.51) MAOBMAOAALDH1A1KMT2ASMN1; SMN2
SCHEMBL22688804 0.78 MAOB (0.47) MAOBMAOAALDH1A1KMT2ASMN1; SMN2
SCHEMBL6566562 0.78 LMNA (0.47) MAOBMAOAALDH1A1KMT2ASMN1; 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
EP-3309163-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE Industries, Ltd. (JP) 2018-04-18 EP disclosed