SCHEMBL7217402

SCHEMBL7217402

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
CNR2 P34972 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NAAA Q02083 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ITGA4 P13612 1/20 0.39
ITGB7 P26010 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
SCHEMBL6242854 0.88 ITGA4 (0.52) TSHRALDH1A1LMNACNR2MAPK1
SCHEMBL7216901 0.88 NPC1 (0.43) TSHRALDH1A1LMNACNR2TP53
SCHEMBL7217135 0.86 ITGA4 (0.46) TSHRALDH1A1LMNACNR2TP53
SCHEMBL7217612 0.86 CYSLTR2 (0.42) TSHRALDH1A1LMNACNR2NPC1
SCHEMBL6935238 0.85 TSHR (0.47) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL6239930 0.85 TSHR (0.47) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL7224601 0.85 TSHR (0.47) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL6238689 0.84 PDCD1 (0.44) TSHRALDH1A1MAPK1POLBITGA4
SCHEMBL7217238 0.81 TLR2 (0.43) TSHRALDH1A1LMNACNR2NPC1
SCHEMBL7217619 0.81 NOD1 (0.43) TSHRALDH1A1LMNACNR2NPC1

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