SCHEMBL2337330

SCHEMBL2337330

CCCCCCCC(=O)Sc1nc(Oc2ccc(O)cc2)nc(SC(=O)CCCCCCC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 7/20 0.47
▸ LTA4H P09960 3/20 0.47
▸ NR5A1 Q13285 1/20 0.45
▸ DEGS1 O15121 1/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ RNASEL Q05823 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PSMB11 A5LHX3 1/20 0.39
▸ PSMA7 O14818 1/20 0.39
▸ PSMB1 P20618 1/20 0.39
▸ PSMA1 P25786 1/20 0.39
▸ PSMA2 P25787 1/20 0.39
▸ PSMA3 P25788 1/20 0.39

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
SCHEMBL218295 0.81 LTA4H (0.49) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL9696459 0.73 LTA4H (0.39) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL10718082 0.70 LTA4H (0.47) HSD17B3LTA4HNR5A1ESR1LMNA
SCHEMBL1007275 0.70 KMT2A (0.61) HSD17B3LTA4HNR5A1LMNASMN1; SMN2
SCHEMBL7585387 0.70 KMT2A (0.61) HSD17B3LTA4HNR5A1LMNASMN1; SMN2
SCHEMBL10942075 0.70 KMT2A (0.61) HSD17B3LTA4HNR5A1LMNASMN1; SMN2
SCHEMBL2382553 0.70 KMT2A (0.61) HSD17B3LTA4HNR5A1LMNASMN1; SMN2
SCHEMBL9724778 0.70 KMT2A (0.61) HSD17B3LTA4HNR5A1LMNASMN1; SMN2
SCHEMBL21382265 0.70 KMT2A (0.61) HSD17B3LTA4HNR5A1LMNASMN1; SMN2
SCHEMBL1275970 0.70 KMT2A (0.61) HSD17B3LTA4HNR5A1LMNASMN1; SMN2

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
EP-2360219-A1 FLAME-RETARDANT HOT-MELT TYPE ADHESIVE AGENT Henkel Corporation (US) 2011-08-24 — — EP disclosed
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