SCHEMBL17898397

SCHEMBL17898397

CC1(C)CCCCC(=O)C1(C)C1CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.42
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.35
HSD17B3 P37058 2/20 0.35
CCR2 P41597 1/20 0.35
HTT P42858 1/20 0.34
APP P05067 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL17898398 0.81 HTT (0.48) CYP19A1KMT2ACCR2HTTCA1
SCHEMBL28719598 0.71 ALDH1A1 (0.33) CYP19A1LMNATSHRALDH1A1TRIM24
SCHEMBL9805708 0.70
SCHEMBL11790627 0.69 LMNA (0.38) CYP19A1LMNATSHR
SCHEMBL706321 0.69 LMNA (0.46) CYP19A1LMNATSHRKMT2AHSD17B3
SCHEMBL11795240 0.69 LMNA (0.46) CYP19A1LMNATSHRKMT2AHSD17B3
SCHEMBL13979324 0.69 CYP19A1 (0.51) CYP19A1LMNATSHRHSD17B3
SCHEMBL9228563 0.69 LMNA (0.35) CYP19A1LMNATSHRKMT2AHTT
SCHEMBL4163461 0.69 LMNA (0.35) CYP19A1LMNATSHRKMT2AHSD17B3
SCHEMBL9845129 0.69 GRIN1 (0.33) CYP19A1LMNATSHRALDH1A1TRIM24

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-9388048-B1 Synthesis of graphene by chemical vapor deposition UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-07-12 US disclosed