SCHEMBL27520125

SCHEMBL27520125

C=CCCC.Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ TSHR P16473 3/20 0.40
▸ MYC P01106 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RARB P10826 2/20 0.37
▸ ESR1 P03372 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ APEX1 P27695 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ RARA P10276 1/20 0.37
▸ RARG P13631 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PTPN7 P35236 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
Butane SCHEMBL27422579 0.85 TSHR (0.47) ALDH1A1L3MBTL1TSHRMYCKDM4E
Propene SCHEMBL27261898 0.84 TSHR (0.46) ALDH1A1L3MBTL1TSHRMYCKDM4E
SCHEMBL28826878 0.83 GPR52 (0.47) ALDH1A1TSHRKDM4EHPGDPOLB
Pentane SCHEMBL27676126 0.82 RARB (0.48) TSHRRARBPTPN11
Alcohol SCHEMBL27614988 0.82 TSHR (0.47) ALDH1A1L3MBTL1TSHRMYCKDM4E
Ethylene SCHEMBL27479147 0.82 TSHR (0.50) ALDH1A1L3MBTL1TSHRMYCKDM4E
SCHEMBL69633 0.82 TSHR (0.53) ALDH1A1L3MBTL1TSHRMYCKDM4E
Heptane SCHEMBL27762248 0.81 TP53 (0.54) TSHRRARBPTPN11
Undecane SCHEMBL28025313 0.81 TP53 (0.54) TSHRRARBPTPN11
SCHEMBL28858438 0.80 TSHR (0.52) ALDH1A1L3MBTL1TSHRMYCKDM4E

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-1048029-C Heat-resistant overwrap film MITSUI PETROCHEMICAL IND (JP) 2000-01-05 — — CN claimed
CN-1083770-A Heat-resisting Wrapping films MITSUI PETROCHEMICAL IND (JP) 1994-03-16 — — CN claimed
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