SCHEMBL7994480

SCHEMBL7994480

C=C(CC1=CCCCCCCCCCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.43
TAAR1 Q96RJ0 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
EPHX1 P07099 2/20 0.40
NPSR1 Q6W5P4 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL1628965 1.00 ALDH1A1 (0.43) ALDH1A1HPGDTAAR1SMN1; SMN2NPC1
SCHEMBL2127670 0.98 ALDH1A1 (0.44) ALDH1A1HPGDTAAR1SMN1; SMN2NPC1
SCHEMBL4290928 0.82 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1SMN1; SMN2NPC1
SCHEMBL10569720 0.82 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1SMN1; SMN2NPC1
SCHEMBL10568015 0.82 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1SMN1; SMN2NPC1
SCHEMBL10568010 0.82 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1SMN1; SMN2NPC1
SCHEMBL11626141 0.82 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1SMN1; SMN2NPC1
SCHEMBL22607754 0.82 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1SMN1; SMN2NPC1
SCHEMBL22607753 0.82 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1SMN1; SMN2NPC1
SCHEMBL5925034 0.82 HPGD (0.47) ALDH1A1HPGDTAAR1SMN1; SMN2NPC1

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-6287746-B1 PHOTOACID GENERATOR NEC CORPORATION (JP) 2001-09-11 US disclosed