SCHEMBL5478934

SCHEMBL5478934

CC=Cc1cccc2c1ccc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 3/20 0.54
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CHAT P28329 4/20 0.45
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ RXRA P19793 1/20 0.43
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ PAX8 Q06710 1/20 0.41

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
SCHEMBL22288140 0.88 HPRT1 (0.64) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL1681129 0.88 CHAT (0.55) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL29693644 0.88 CHAT (0.55) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL29563633 0.88 CHAT (0.55) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL612947 0.88 CHAT (0.55) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL272577 0.88 CHAT (0.55) CHATMTNR1AMTNR1BRXRAPTGS1
SCHEMBL1968076 0.84 HPRT1 (0.58) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL11798289 0.80 MAOB (0.49) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL11798296 0.80 MAOB (0.49) HPRT1ALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL11547098 0.79 CHAT (0.56) HPRT1CHATPTGS1PTGS2

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-20070012569-A1 Cationic electrodeposition coating composition NIPPON PAINT CO., LTD. (JP) 2007-01-18 — — US disclosed
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