SCHEMBL21668675

SCHEMBL21668675

C=Cc1c(C(=C)C(=O)O)cccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HMGB1 P09429 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA9 Q16790 1/20 0.36
NAPRT Q6XQN6 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
SCHEMBL27494534 0.88 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRNR4A1NR4A2
SCHEMBL997602 0.77 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRNR4A1NR4A2
SCHEMBL7088879 0.77 ALDH1A1 (0.54) ALDH1A1ALOX15TSHRNR4A1NR4A2
SCHEMBL31338864 0.76 ALDH1A1 (0.55) ALDH1A1ALOX15TSHRSLC22A6SLC22A8
SCHEMBL357340 0.76 ALDH1A1 (0.55) ALDH1A1ALOX15TSHRSLC22A6SLC22A8
SCHEMBL4634961 0.76 TSHR (0.57) ALDH1A1ALOX15TSHRKDM4EHPGD
SCHEMBL332990 0.75 CYP1A2 (0.50) ALDH1A1ALOX15TSHRSLC22A6SLC22A8
SCHEMBL2002579 0.74 CLCN2 (0.50) ALDH1A1ALOX15TSHRSLC22A6SLC22A8
SCHEMBL7689044 0.74 POLB (0.47) ALDH1A1ALOX15TSHRNR4A1NR4A2
SCHEMBL9027781 0.73 CA1 (0.39) ALDH1A1ALOX15TSHRKDM4EHPGD

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
EP-3604381-A1 THERMOPLASTIC LIQUID CRYSTAL POLYMER AND FILM OF SAME Kuraray Co., Ltd. (JP) 2020-02-05 EP disclosed