SCHEMBL28099192

SCHEMBL28099192

O=CC(CCCCCc1ccccc1)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.47
CTSK P43235 2/20 0.46
ACE P12821 1/20 0.43
TRPA1 O75762 1/20 0.42
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL4907367 0.80 CTSK (0.57) SIGMAR1CTSKACETRPA1MAPT
SCHEMBL27527666 0.75 S1PR2 (0.50) SIGMAR1TRPA1S1PR2S1PR4S1PR1
SCHEMBL9854459 0.75 ALDH1A1 (0.45) CTSKACETRPA1
SCHEMBL141088 0.75 TDP1 (0.42) CTSK
SCHEMBL14327702 0.73 ADH1B (0.42) CTSK
SCHEMBL8724279 0.72 GAA (0.44) ACE
SCHEMBL8746370 0.71 GAA (0.39)
SCHEMBL28255718 0.71 TDP1 (0.45) CTSKMAPT
SCHEMBL466936 0.70 SIGMAR1 (0.52) SIGMAR1TRPA1S1PR2S1PR4S1PR1
SCHEMBL16265022 0.70 KMT2A (0.47) ACEMAPT

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-105969329-A Low-permeability reservoir artificial crack high-permeability-grading low-fingering residue-free acidizing fluid and preparation method thereof 宁夏朔光石油科技有限公司 2016-09-28 CN claimed
CN-105969329-A Low-permeability reservoir artificial crack high-permeability-grading low-fingering residue-free acidizing fluid and preparation method thereof 宁夏朔光石油科技有限公司 2016-09-28 CN disclosed