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SCHEMBL13190331

SCHEMBL13190331

CCc1ccc(Oc2ccc(Br)cc2)cc1C1=C(O)C2C(C1=O)[C@@H]1CC[C@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL10196156 1.00 MAOA (0.39) MAOAMAOBALDH1A1KMT2AHPGD
SCHEMBL10196119 0.89 FFAR4 (0.35) MAOAMAOBALDH1A1KMT2AHPGD
SCHEMBL19070629 0.89 FFAR4 (0.35) KMT2AHPGDTSHRSMN1; SMN2L3MBTL1
SCHEMBL10196159 0.89 FFAR4 (0.35) KMT2AHPGDTSHRSMN1; SMN2L3MBTL1
SCHEMBL432171 0.88 ALDH1A1 (0.33) ALDH1A1KMT2AHPGDTSHRSMN1; SMN2
SCHEMBL10196014 0.88 ALDH1A1 (0.33) ALDH1A1KMT2AHPGDTSHRSMN1; SMN2
SCHEMBL10196124 0.87 P2RX7 (0.32) SMN1; SMN2
SCHEMBL19070867 0.87 P2RX7 (0.32) SMN1; SMN2
SCHEMBL19070868 0.87 P2RX7 (0.32) SMN1; SMN2
SCHEMBL10196149 0.87 HTR2A (0.34) ALDH1A1KMT2AHPGDTSHRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 — — WO disclosed