SCHEMBL1699722

SCHEMBL1699722

CCCCCCCC(C)c1cccc(C(=O)c2ccccc2)c1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
PTPN1 P18031 1/20 0.41
ACP1 P24666 1/20 0.41
CDC25B P30305 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
SLC37A4 O43826 1/20 0.40

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
SCHEMBL1699771 0.89 ALDH1A1 (0.49) ALDH1A1BCL2MCL1CES2CES1
SCHEMBL9502958 0.87 ALDH1A1 (0.52) ALDH1A1MCL1PRSS1PRSS2PRSS3
SCHEMBL9615354 0.87 ALDH1A1 (0.52) ALDH1A1MCL1PRSS1PRSS2PRSS3
SCHEMBL9504215 0.87 ALDH1A1 (0.52) ALDH1A1MCL1PRSS1PRSS2PRSS3
SCHEMBL11306065 0.83 ALDH1A1 (0.42) ALDH1A1PRSS1PRSS2PRSS3SLC37A4
SCHEMBL1836925 0.80 TSHR (0.47) GABRA1GABRB1
SCHEMBL1838216 0.80 TSHR (0.47) GABRA1GABRB1
SCHEMBL11777923 0.80 TSHR (0.47) GABRA1GABRB1
SCHEMBL11778813 0.80 TSHR (0.47) GABRA1GABRB1
SCHEMBL18092117 0.80 TSHR (0.47) GABRA1GABRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011162836-A1 METHOD FOR EXTRACTING A METAL PARTICULATE FROM AN AQUEOUS SOLUTION USING A SOL-GEL DERIVED SORBENT ABS MATERIALS, INC (US) 2011-12-29 WO claimed
WO-2011162836-A1 METHOD FOR EXTRACTING A METAL PARTICULATE FROM AN AQUEOUS SOLUTION USING A SOL-GEL DERIVED SORBENT ABS MATERIALS, INC (US) 2011-12-29 WO disclosed