SCHEMBL28069209

SCHEMBL28069209

CCc1cc(Cc2ccc(OC)cc2)cc(CC)c1N

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 1/20 0.46
ATM Q13315 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
POLB P06746 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MPO P05164 1/20 0.43
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL10508727 0.82 CYP3A4 (0.56) ALDH1A1POLBHTT
SCHEMBL48459 0.81 HTT (0.50) ALDH1A1POLBMAPTHTT
SCHEMBL9682268 0.81 ST14 (0.46) LTA4HALDH1A1LMNAHPGDPOLB
SCHEMBL9456455 0.78 CALM1 (0.48) LTA4HLMNAPOLBHTT
SCHEMBL10522397 0.77 POLB (0.47) ALDH1A1NPSR1IDO1POLBTAAR1
SCHEMBL3799065 0.77 LTA4H (0.68) LTA4HALDH1A1CYP2D6ATMSAE1
SCHEMBL25986524 0.77 LTA4H (0.81) LTA4HALDH1A1CYP2D6ATMSAE1
SCHEMBL27884 0.77 LTA4H (0.81) LTA4HALDH1A1CYP2D6ATMSAE1
SCHEMBL1425001 0.77 LTA4H (0.81) LTA4HALDH1A1CYP2D6ATMSAE1
SCHEMBL3935601 0.77 ALDH1A1 (0.44) ALDH1A1HPGDPOLBGAAMAPT

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
CN-103897198-B A kind of polymer flooding crude oil demulsifier and preparation method thereof and application CHINA NATIONAL OFFSHORE OIL CORPORATION (CN) 2016-05-18 CN disclosed