SCHEMBL31124706

SCHEMBL31124706

Cc1ccc2c(c1)Cc1cc(C)ccc1C2=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 6/20 0.71
ELANE P08246 1/20 0.54
MAOA P21397 4/20 0.50
MAOB P27338 3/20 0.50
PARP10 Q53GL7 2/20 0.48
PARP11 Q9NR21 1/20 0.48
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ACHE P22303 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL11891506 1.00 METAP1 (0.71) METAP1ELANEMAOAMAOBPARP10
SCHEMBL1611036 0.94 METAP1 (0.65) METAP1ELANEMAOAMAOBPARP10
SCHEMBL6905673 0.90 MAOA (0.67) METAP1ELANEMAOAMAPTMEN1
SCHEMBL15483667 0.87 METAP1 (0.63) METAP1MAOAMAOBMAPTMEN1
SCHEMBL28441661 0.87 METAP1 (0.67) METAP1ELANEMAOAMAOBPARP10
SCHEMBL11208929 0.87 METAP1 (0.67) METAP1ELANEMAOAMAOBPARP10
SCHEMBL1609651 0.86 METAP1 (0.71) METAP1ELANEMAOAMAOBPARP10
SCHEMBL7435588 0.86 METAP1 (0.60) METAP1ELANEMAOAMAOBPARP10
SCHEMBL4897556 0.85 METAP1 (0.57) METAP1ELANEMAOAMAOBPARP10
SCHEMBL29633547 0.85 METAP1 (0.57) METAP1ELANEMAOAMAOBPARP10

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
CN-118724948-A Dual-function self-assembled hole transport material and preparation method and application thereof 深圳普太科技有限公司 2024-10-01 CN disclosed