SCHEMBL18649359

SCHEMBL18649359

CCC(CC)NCCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
CNR1 P21554 1/20 0.42
ADRA1A P35348 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ABCC3 O15438 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL24268941 0.89 LMNA (0.38) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL7770765 0.84 LMNA (0.46) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL31453483 0.81 LMNA (0.52) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL31453481 0.81 LMNA (0.52) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL22730926 0.80 ALDH1A1 (0.37) LMNATDP1KDM4ESMN1; SMN2SIGMAR1
SCHEMBL31453488 0.78 LMNA (0.50) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL31453480 0.78 LMNA (0.50) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL6279880 0.76 LMNA (0.41) LMNA
SCHEMBL5367349 0.76 LMNA (0.48) LMNACNR1ADRA1ATDP1KDM4E
Water SCHEMBL11967853 0.76 LMNA (0.48) LMNACNR1ADRA1ATDP1KDM4E

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-9598361-B1 Amino substituted acetamide derivative KING SAUD UNIVERSITY (SA) 2017-03-21 US disclosed