SCHEMBL20780554

SCHEMBL20780554

Cc1cc(OCC(C)C)ccc1CC(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
XDH P47989 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTR2A P28223 1/20 0.40
MCL1 Q07820 1/20 0.40
ACACB O00763 3/20 0.40
POLB P06746 2/20 0.39
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAOA P21397 1/20 0.39
GHSR Q92847 1/20 0.39
ABL1 P00519 1/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL20766408 0.84 HTR2A (0.49) XDHHTR2AACACBFOSJUN
SCHEMBL30523654 0.84 HTR2A (0.49) XDHHTR2AACACBFOSJUN
SCHEMBL3727305 0.80 KMT2A (0.45) KMT2AMEN1PKMXDHSMN1; SMN2
SCHEMBL3718801 0.78 ALDH1A1 (0.41) KMT2AXDHSMN1; SMN2POLBFOS
SCHEMBL3940925 0.76 ACACB (0.49) KMT2AMEN1SMN1; SMN2ACACBPOLB
SCHEMBL23182931 0.75 ALDH1A1 (0.40) KMT2AXDHSMN1; SMN2POLBFOS
SCHEMBL10921397 0.75 FAAH (0.47) KMT2AMEN1FOSJUNALDH1A1
SCHEMBL2958827 0.74 NR1H4 (0.51) XDHMCL1POLBFOSJUN
SCHEMBL27864666 0.74 GABRA1 (0.45) HTR2ALMNAESR1
SCHEMBL8483862 0.73 TDP1 (0.47) KMT2AMEN1SMN1; SMN2POLBKDM4E

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
WO-2019040104-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed