SCHEMBL11358917

SCHEMBL11358917

CCCC(=O)Oc1cccc2c1OCCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.59
MTNR1B P49286 2/20 0.59
CTNNB1 P35222 2/20 0.53
WNT3A P56704 2/20 0.53
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL16467017 0.83 KMT2A (0.44) MTNR1AMTNR1BCTNNB1KDM4EMEN1
SCHEMBL5218968 0.78 MTNR1A (0.54) MTNR1AMTNR1BCTNNB1WNT3AKDM4E
SCHEMBL5405021 0.76 MTNR1A (0.52) MTNR1AMTNR1BCTNNB1WNT3AKDM4E
SCHEMBL13202088 0.75 MTNR1A (0.65) MTNR1AMTNR1BCTNNB1WNT3AKDM4E
SCHEMBL9312497 0.75 KMT2A (0.59) CTNNB1KDM4EMEN1RECQLKMT2A
SCHEMBL20978627 0.74 MTNR1A (0.60) MTNR1AMTNR1BCTNNB1WNT3A
SCHEMBL15967624 0.74 MTNR1A (0.51) MTNR1AMTNR1BCTNNB1WNT3AHDAC3
SCHEMBL15994016 0.74 MTNR1A (0.54) MTNR1AMTNR1BCTNNB1WNT3AHDAC3
SCHEMBL22141048 0.74 KMT2A (0.50) CTNNB1KDM4EMEN1RECQLKMT2A
SCHEMBL13534264 0.74 MTNR1A (0.64) MTNR1AMTNR1BCTNNB1WNT3AKDM4E

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-4248788-A INTERMEDIATES TO CINNAMOYLPIPERAZINES AND -HOMOPIPERAZINES DELALANDE S.A. (FR) 1981-02-03 US disclosed