SCHEMBL7247576

SCHEMBL7247576

CCCCCCCCCCCCCCCCN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCCCCCC)C5=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CXCR5 P32302 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PLA2G1B P04054 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ CES1 P23141 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CDC25A P30304 2/20 0.36
▸ RGS12 O14924 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL7249599 1.00 ALDH1A1 (0.40) ALDH1A1MAPTTDP1USP2HPGD
SCHEMBL15685974 1.00 ALDH1A1 (0.40) ALDH1A1MAPTTDP1USP2HPGD
SCHEMBL7246100 1.00 ALDH1A1 (0.40) ALDH1A1MAPTTDP1USP2HPGD
SCHEMBL3682788 0.95 ALDH1A1 (0.42) ALDH1A1MAPTTDP1USP2HPGD
SCHEMBL13509075 0.87 ALDH1A1 (0.36) ALDH1A1MAPTTDP1USP2HPGD
SCHEMBL16786454 0.86 ALDH1A1 (0.44) ALDH1A1MAPTTDP1HPGDKDM4E
SCHEMBL17403690 0.85 TDP1 (0.45) ALDH1A1TDP1KDM4EMAPK1HSD17B10
SCHEMBL17190828 0.84 USP2 (0.31) ALDH1A1MAPTTDP1USP2HPGD
SCHEMBL4816994 0.82 RAB9A (0.46) ALDH1A1MAPTTDP1USP2HPGD
SCHEMBL4809107 0.81 LTA4H (0.42) ALDH1A1MAPTTDP1USP2KDM4E

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-20030111649-A1 Chemiluminescent composition for emitting red light KIM, YONG-RAI (KR) 2003-06-19 — — US claimed
US-20030111649-A1 Chemiluminescent composition for emitting red light KIM, YONG-RAI (KR) 2003-06-19 — — US disclosed
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