SCHEMBL5339952

SCHEMBL5339952

CC(=CCCCc1ccncc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.48
GPR52 Q9Y2T5 1/20 0.40
HRH1 P35367 2/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL1574137 0.85 HDAC3 (0.48) TBXAS1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4667862 0.85 HDAC3 (0.48) TBXAS1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL443151 0.85 HDAC3 (0.48) TBXAS1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9242333 0.82 TBXAS1 (0.56) TBXAS1
SCHEMBL2019608 0.82 TBXAS1 (0.56) TBXAS1
SCHEMBL445601 0.80 TBXAS1 (0.50) TBXAS1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL813333 0.80 TBXAS1 (0.50) TBXAS1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8009555 0.80 TSHR (0.41) TBXAS1ALDH1A1TSHRKMT2A
SCHEMBL8009552 0.80 TSHR (0.41) TBXAS1ALDH1A1TSHRKMT2A
SCHEMBL1122044 0.79 TBXAS1 (0.52) TBXAS1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265166-B2 Aqueous polymer composition ROHM AND HAAS COMPANY (US) 2007-09-04 US disclosed
US-20040220329-A1 Aqueous polymer composition and coating produced therefrom SOLOMON ROBERT DAVID (US) 2004-11-04 US disclosed
US-20040102568-A1 Aqueous coating composition BRIDGEWATER BRIAN MICHAEL (US) 2004-05-27 US disclosed