SCHEMBL29053404

SCHEMBL29053404

CCC(CC)COc1ccc(Br)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.49
▸ THRB P10828 2/20 0.49
▸ TSHR P16473 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 2/20 0.39
▸ PTPN11 Q06124 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL4649128 0.83 TSHR (0.60) TSHRHSD17B10ALDH1A1HPGDPTPN11
SCHEMBL30494432 0.80 PTPN11 (0.58) THRATHRBTSHRHSD17B10PTPN11
SCHEMBL16136229 0.80 PTPN11 (0.58) THRATHRBTSHRHSD17B10PTPN11
SCHEMBL31412888 0.79 ALDH1A1 (0.50) TSHRHSD17B10ALDH1A1HPGDMEN1
SCHEMBL20430157 0.77 HSD17B10 (0.45) TSHRHSD17B10ALDH1A1HPGDPTPN11
SCHEMBL29053389 0.77 PTPN11 (0.65) THRATHRBTSHRPTPN11
SCHEMBL29053400 0.77 MAPK1 (0.59) THRATHRBTSHRHSD17B10ALDH1A1
SCHEMBL9202658 0.75 SIRT2 (0.54) ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL29053394 0.75 KDM4E (0.46) THRATHRBTSHRHSD17B10HPGD
SCHEMBL4649906 0.74 ALDH1A1 (0.71) TSHRHSD17B10ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396159-A Synthesis method of 2,2' -biphenyl dicarboxylic acid compound 湖南大学 2023-07-07 — — CN claimed
CN-116396159-A Synthesis method of 2,2' -biphenyl dicarboxylic acid compound 湖南大学 2023-07-07 — — CN disclosed
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