SCHEMBL17335896

SCHEMBL17335896

CCOC(=O)CC(N)CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.50
▸ F2 P00734 2/20 0.50
▸ ALOX5 P09917 1/20 0.50
▸ S1PR2 O95136 2/20 0.48
▸ S1PR1 P21453 2/20 0.48
▸ GRIK1 P39086 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ S1PR4 O95977 1/20 0.45
▸ S1PR3 Q99500 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MMP2 P08253 1/20 0.44
▸ BMP1 P13497 1/20 0.44

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
SCHEMBL8903673 0.91 F2 (0.55) F10F2ALOX5S1PR2S1PR1
SCHEMBL2311407 0.91 F2 (0.55) F10F2ALOX5S1PR2S1PR1
Hydrochloric Acid SCHEMBL2311411 0.90 F2 (0.54) F10F2ALOX5S1PR2S1PR1
Hydrochloric Acid SCHEMBL2311402 0.90 F2 (0.54) F10F2ALOX5S1PR2S1PR1
SCHEMBL8334379 0.86 PPARA (0.46) F10F2ALOX5S1PR2S1PR1
SCHEMBL1646942 0.82 EPHX1 (0.50) F10F2ALDH1A1TSHRMMP2
SCHEMBL1645938 0.82 EPHX1 (0.50) F10F2ALDH1A1TSHRMMP2
SCHEMBL8903679 0.81 GRIK1 (0.54) ALOX5GRIK1SMN1; SMN2LMNA
SCHEMBL14401116 0.81 GRIK1 (0.54) ALOX5GRIK1SMN1; SMN2LMNA
SCHEMBL1669596 0.80 S1PR2 (0.60) S1PR2S1PR1GRIK1SMN1; SMN2LMNA

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-2015189862-A1 CHIRAL AMINES, A PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-17 — — WO claimed
WO-2015189862-A1 CHIRAL AMINES, A PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-17 — — WO disclosed
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