SCHEMBL20052962

SCHEMBL20052962

COc1cccc(C)c1C1CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
PTPN1 P18031 3/20 0.41
PPARD Q03181 2/20 0.41
HPGD P15428 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
HTR1A P08908 6/20 0.39
ADRA1A P35348 4/20 0.39
ACHE P22303 2/20 0.39
CA12 O43570 1/20 0.38

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
SCHEMBL21816474 0.80 RPS6KA2 (0.40) PTPN1PPARDALOX5PPARGHTR1A
SCHEMBL12269849 0.78 PTPN1 (0.39) ALDH1A1PTPN1HPGDCYP3A4MAPK1
SCHEMBL20726997 0.78 PTPN1 (0.39) ALDH1A1PTPN1HPGDCYP3A4MAPK1
SCHEMBL16955777 0.77 ABCB1 (0.53) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL2446604 0.76 PTPN1 (0.39) ALDH1A1PTPN1PPARDHPGDKDM4E
SCHEMBL17356791 0.73 ABCB1 (0.42) HPGDHTR1AABCB1
SCHEMBL21231927 0.72 HTR1A (0.39) ALDH1A1LMNAMAPTHTR1AADRA1A
SCHEMBL935859 0.71 HTR2C (0.50) ADRA1ACA12CA1CA2CA4
SCHEMBL29474981 0.71 HTR2C (0.50) ADRA1ACA12CA1CA2CA4
SCHEMBL6484237 0.71 HTR2C (0.50) ADRA1ACA12CA1CA2CA4

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-9944655-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2018-04-17 US disclosed