SCHEMBL19901952

SCHEMBL19901952

CC(C)C[C@H](C)CCCN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB1 P19838 1/20 0.32
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 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
SCHEMBL9945684 1.00 LMNA (0.39) LMNATSHRALDH1A1MAPK1NFKB1
SCHEMBL22215550 0.92 LMNA (0.43) LMNATSHRALDH1A1MAPK1NFKB1
SCHEMBL23978135 0.90 LMNA (0.42) LMNATSHRALDH1A1CA12CA1
SCHEMBL3362217 0.82
SCHEMBL23021103 0.82
SCHEMBL1146663 0.82 LMNA (0.47) LMNATSHRALDH1A1NFKB1HTR2A
SCHEMBL16240597 0.81 ALDH1A1 (0.41) LMNATSHRALDH1A1MAPK1NFKB1
SCHEMBL830510 0.81 LMNA (0.32) LMNAALDH1A1NFKB1HTR2AHRH1
SCHEMBL21011204 0.79 LMNA (0.31) LMNA
SCHEMBL24835043 0.79 RNPEP (0.32) LMNA

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-9902096-B2 Production of fibre composite component part based on aluminium and polyurethane EVONIK DEGUSSA GMBH (DE) 2018-02-27 US disclosed