SCHEMBL16351306

SCHEMBL16351306

O=C(O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)NCCc5ccccc5)ccc(c5ccc(C(=O)CCCc6ccccc6)c1c25)c43

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.48
PLAAT5 Q96KN8 2/20 0.48
PLAAT2 Q9NWW9 2/20 0.48
PLAAT4 Q9UL19 2/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
HPGD P15428 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NLRP1 Q9C000 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.44
NLRP3 Q96P20 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL16351287 0.95 PLAAT3 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4MAPT
SCHEMBL5187348 0.90 RAB9A (0.56) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL823219 0.90 RAB9A (0.56) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL16351643 0.90 RAB9A (0.56) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL16351644 0.85 KMT2A (0.56) MAPTLMNANPC1RAB9AHPGD
SCHEMBL5051133 0.85 KMT2A (0.56) MAPTLMNANPC1RAB9AHPGD
SCHEMBL3796253 0.84 RAB9A (0.62) MAPTLMNANPC1RAB9AHPGD
SCHEMBL822668 0.84 RAB9A (0.62) MAPTLMNANPC1RAB9AHPGD
SCHEMBL16352053 0.84 RAB9A (0.62) MAPTLMNANPC1RAB9AHPGD
SCHEMBL29705135 0.83 EGLN1 (0.49) MAPTLMNANPC1RAB9AALDH1A1

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-8404892-B2 Aromatic amic acid salts and compositions EASTMAN KODAK COMPANY (US) 2013-03-26 US disclosed