SCHEMBL7968175

SCHEMBL7968175

CCCCCCCCCCCC(=O)c1c(C(=O)OCC)[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.72
NPSR1 Q6W5P4 2/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.58
TSHR P16473 4/20 0.57
HSD17B10 Q99714 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 2/20 0.56
MAPT P10636 1/20 0.56
TUBB4A P04350 2/20 0.55
TUBB P07437 2/20 0.55
TUBA3C P0DPH7 2/20 0.55
TUBA1B P68363 2/20 0.55
TUBA4A P68366 2/20 0.55
TUBB4B P68371 2/20 0.55
TUBB3 Q13509 2/20 0.55
TUBB2A Q13885 2/20 0.55
TUBB8 Q3ZCM7 2/20 0.55

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
SCHEMBL9268276 0.85 OXER1 (0.62) ALOX15ALDH1A1HPGDHTTMAPT
SCHEMBL15512501 0.85 OXER1 (0.62) ALOX15ALDH1A1HPGDHTTMAPT
SCHEMBL3564166 0.83 ALDH1A1 (0.57) ALOX15TSHRHSD17B10ALDH1A1HPGD
SCHEMBL3276393 0.83 TUBB4A (0.67) SMN1; SMN2TSHRHSD17B10ALDH1A1HPGD
SCHEMBL17616303 0.82 ALDH1A1 (0.63) ALOX15NPSR1LMNATSHRHSD17B10
SCHEMBL7211886 0.81 OXER1 (0.53) ALOX15NPSR1LMNASMN1; SMN2MAPK1
SCHEMBL9273621 0.81 OXER1 (0.53) ALOX15NPSR1LMNASMN1; SMN2MAPK1
SCHEMBL2341965 0.80 ALOX15 (0.67) ALOX15SMN1; SMN2TSHRHSD17B10ALDH1A1
SCHEMBL7672077 0.80 TUBB4A (0.67) ALOX15TSHRHSD17B10ALDH1A1HPGD
SCHEMBL17022468 0.79 OXER1 (0.62) HSD17B10ALDH1A1HPGDHTTMAPT

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
US-6310217-B1 ANTIINFLAMMATORY AND ANALGESIC AGENTS MERCKLE GMBH (DE) 2001-10-30 US disclosed