SCHEMBL4736758

SCHEMBL4736758

C=CCNCCOc1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.61
▸ KDM4E B2RXH2 6/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ ADRB2 P07550 1/20 0.51
▸ ADRB1 P08588 1/20 0.51
▸ GAA P10253 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MAPT P10636 1/20 0.46
▸ AGXT P21549 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NCOA2 Q15596 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NR2E3 Q9Y5X4 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
Bromide SCHEMBL9661621 0.80 DRD4 (0.61) KDM4EALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL16392408 0.78 KDM4E (0.61) PPARGKDM4EMAPK1TDP1ALDH1A1
SCHEMBL5701159 0.76 PPARG (1.00) PPARGKDM4EMAPK1TDP1KMT2A
SCHEMBL16902851 0.75 TDP1 (0.87) PPARGKDM4EMAPK1TDP1ALDH1A1
SCHEMBL10341238 0.75 TDP1 (0.61) PPARGKDM4EMAPK1TDP1ALDH1A1
SCHEMBL2671526 0.75 PPARG (0.55) PPARGKDM4EMAPK1TDP1ALDH1A1
SCHEMBL16056766 0.75 HRAS (0.56) PPARGKDM4EMAPK1TDP1ALDH1A1
SCHEMBL7794296 0.74 DRD2 (0.45) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL470906 0.74 CA12 (0.57) KDM4EMAPK1TDP1SMN1; SMN2NPC1
SCHEMBL30541768 0.74 CA12 (0.57) KDM4EMAPK1TDP1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008069518-A1 PHARMACEUTICAL COMPOSITION FOR CONTROLLING THE FUNCTION OF SPIHNGOSYLPHOSPHORYLCHOLINE AMOREPACIFIC CORPORATION (KR) 2008-06-12 — — WO claimed
WO-2008069518-A1 PHARMACEUTICAL COMPOSITION FOR CONTROLLING THE FUNCTION OF SPIHNGOSYLPHOSPHORYLCHOLINE AMOREPACIFIC CORPORATION (KR) 2008-06-12 — — WO disclosed
WO-2007136159-A1 USE OF SPHINGOSYLPHOSPHORYLCHOLINE ANTAGONIST FOR RESTORING THE EXPRESSION OF ANTIMICROBIAL PEPTIDES AMOREPACIFIC CORPORATION (KR) 2007-11-29 — — WO disclosed
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