SCHEMBL7224601

SCHEMBL7224601

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
NAAA Q02083 1/20 0.46
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6935238 1.00 TSHR (0.47) TSHRALDH1A1LMNANAAAMAPK1
SCHEMBL6239930 1.00 TSHR (0.47) TSHRALDH1A1LMNANAAAMAPK1
SCHEMBL7216901 0.85 NPC1 (0.43) TSHRALDH1A1LMNANAAAMAPK1
SCHEMBL7217402 0.85 TSHR (0.45) TSHRALDH1A1LMNANAAAMAPK1
SCHEMBL27439506 0.84 MAPT (0.41) ALDH1A1LMNANAAAMAPK1POLB
SCHEMBL27464181 0.84 MAPT (0.41) ALDH1A1LMNANAAAMAPK1POLB
SCHEMBL6237955 0.84 POLB (0.49) TSHRALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL6241734 0.84 POLB (0.49) TSHRALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL6242854 0.83 ITGA4 (0.52) TSHRALDH1A1LMNAMAPK1NPC1
SCHEMBL7217612 0.81 CYSLTR2 (0.42) TSHRALDH1A1LMNANPC1RAB9A

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