SCHEMBL20170478

SCHEMBL20170478

C=C(C)CCc1ccc(OC(C)CCCNC(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.37
ACACB O00763 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SIGMAR1 Q99720 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ADRB1 P08588 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL24521645 0.83 FFAR1 (0.38) ACACBALDH1A1KDM4EFFAR1
SCHEMBL26741729 0.74 SIGMAR1 (0.49) ADRB2ACACBALDH1A1SIGMAR1KDM4E
SCHEMBL23011590 0.74 RAB9A (0.38) SIGMAR1SMN1; SMN2
SCHEMBL29342459 0.70 SIGMAR1 (0.66) ADRB2ALDH1A1SIGMAR1ADRB1HTT
SCHEMBL10815976 0.68 SIGMAR1 (0.60) ALDH1A1SIGMAR1HTTSMN1; SMN2
SCHEMBL28181025 0.68 GPR88 (0.44) ACACBALDH1A1SIGMAR1
SCHEMBL16075057 0.68 ACACB (0.52) ACACBALDH1A1SIGMAR1KDM4EHTT
SCHEMBL11550278 0.68 ACACB (0.60) ACACBALDH1A1KDM4ESMN1; SMN2
SCHEMBL13041414 0.67 F2RL1 (0.59) ALDH1A1KDM4ESMN1; SMN2FFAR1
SCHEMBL25855169 0.67 RXFP1 (0.49) ALDH1A1KDM4ESMN1; SMN2FFAR1

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-2895513-B1 FC CONTAINING POLYPEPTIDES WITH ALTERED GLYCOSYLATION AND REDUCED EFFECTOR FUNCTION GENZYME CORP (US) 2018-05-23 EP disclosed