SCHEMBL1621499

SCHEMBL1621499

C=C(CCCc1cccc(OC)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MTNR1A P48039 2/20 0.57
MTNR1B P49286 2/20 0.57
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CTBP2 P56545 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48

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
SCHEMBL6441998 0.91 MEN1 (0.54) HDAC1HDAC6MTNR1AMTNR1BMEN1
SCHEMBL29669893 0.85 HDAC1 (0.63) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL7758273 0.85 HDAC1 (0.63) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL9627098 0.82 MTNR1A (0.67) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL445381 0.82 ALOX5 (0.60) KMT2AALDH1A1CYP1A2
SCHEMBL934349 0.82 HDAC1 (0.63) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL7293162 0.82 CTBP2 (0.64) MTNR1AMTNR1BMEN1KMT2ACTBP2
SCHEMBL1206248 0.81 HDAC1 (0.70) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL3171909 0.81 HDAC1 (0.62) HDAC1HDAC6MTNR1AMTNR1BCHRM2
SCHEMBL679742 0.81 NPC1 (0.52) HDAC1HDAC6MEN1KMT2ACTBP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8936854-B2 Method of forming antifouling coating film NIPPON PAINT MARINE COATINGS CO., LTD. (JP) 2015-01-20 US disclosed
US-8597795-B2 Antifouling coating composition, antifouling film, composite film, and in-water structure NIPPON PAINT MARINE COATINGS CO., LTD. (JP) 2013-12-03 US disclosed
US-8148468-B2 Reactive hot melt adhesive composition and method for producing the same MITSUBISHI RAYON CO., LTD. (JP) 2012-04-03 US disclosed
US-7928175-B2 Antifouling paint composition MITSUBISHI RAYON CO., LTD. (JP) 2011-04-19 US disclosed
US-20060258772-A1 Antifouling paint composition MITSUBISHI RAYON CO. LTD. (JP) 2006-11-16 US disclosed
US-20050065232-A1 Antifouling paint composition, antifouling paint films, and, ships, underwater underwater structures, fishing gear and fishing nets covered with the films CHUGOKU MARINE PAINTS, LTD. (JP) 2005-03-24 US disclosed