SCHEMBL28623965

SCHEMBL28623965

CCCCOC(=O)C1CCC(CCCC)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 1/20 0.43
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
TP53 P04637 1/20 0.40
ATM Q13315 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
SCHEMBL10073834 0.93 GAA (0.43) MAPTGAAPOLBHPGDHTT
SCHEMBL10479678 0.92 GAA (0.43) MAPTGAAPOLBHPGDHTT
SCHEMBL10479683 0.92 GAA (0.43) MAPTGAAPOLBHPGDHTT
SCHEMBL14927067 0.91 MAPT (0.46) MAPTGAAPOLBHPGDHTT
SCHEMBL14926590 0.91 ALDH1A1 (0.50) MAPTGAAPOLBHPGDHTT
SCHEMBL10844901 0.91 MAPT (0.46) MAPTGAAPOLBHPGDHTT
SCHEMBL14232311 0.91 MAPT (0.46) MAPTGAAPOLBHPGDHTT
SCHEMBL10844896 0.91 MAPT (0.46) MAPTGAAPOLBHPGDHTT
SCHEMBL13065499 0.90 GAA (0.42) MAPTGAAPOLBHPGDHTT
SCHEMBL13065500 0.90 GAA (0.42) MAPTGAAPOLBHPGDHTT

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
CN-113249987-A Phosphorus-free and nitrogen-free dyeing promotion repairing agent and preparation method thereof 广东湛丰精细化工有限公司 2021-08-13 CN disclosed
CN-113249987-A Phosphorus-free and nitrogen-free dyeing promotion repairing agent and preparation method thereof 广东湛丰精细化工有限公司 2021-08-13 CN disclosed