SCHEMBL7217612

SCHEMBL7217612

CCCCCCCCCCCCOC(=O)[C@H](CCC(=O)O)NCc1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
CNR2 P34972 1/20 0.42
P2RY12 Q9H244 4/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 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
SCHEMBL6242854 0.86 ITGA4 (0.52) CNR2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL7217402 0.86 TSHR (0.45) CNR2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL7217619 0.86 NOD1 (0.43) CNR2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL7216901 0.84 NPC1 (0.43) CNR2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL7217135 0.82 ITGA4 (0.46) CNR2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL7217238 0.81 TLR2 (0.43) CNR2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL6239930 0.81 TSHR (0.47) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL7224601 0.81 TSHR (0.47) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL6935238 0.81 TSHR (0.47) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL9049542 0.78 NAALAD2 (0.48) TSHR

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
US-6552061-B1 For therapy and prophylaxis of inflammatory skin injuries or diseases AJINOMOTO CO., INC. (JP) 2003-04-22 US disclosed
EP-0955046-A2 Amino acid derivatives and anti-inflammatory agents Ajinomoto Co., Inc. (JP) 1999-11-10 EP disclosed