SCHEMBL29464062

SCHEMBL29464062

COC(=O)c1ccc(-c2c3ccccc3c(-c3ccc(C(=O)OC)cc3)c3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.56
PTPN1 P18031 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
TNKS O95271 2/20 0.54
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA7 P43166 1/20 0.53
RAB9A P51151 4/20 0.53
MAPT P10636 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53

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
SCHEMBL29274262 0.87 TNKS (0.63) TSHRMAPK1PTPN1SMN1; SMN2ALDH1A1
SCHEMBL24515181 0.86 CA1 (0.64) TSHRPTPN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL24159350 0.84 TNKS (0.56) TSHRMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL1105491 0.82 TSHR (0.75) TSHRPTPN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL10112382 0.82 TSHR (0.45) TSHRMAPK1PTPN1SMN1; SMN2ALDH1A1
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.81 CA1 (0.70) TSHRPTPN1ALDH1A1CA1CA2
SCHEMBL19387238 0.81 CA1 (0.70) TSHRPTPN1ALDH1A1CA1CA2
SCHEMBL31426904 0.80 KDM4E (0.59) TSHRSMN1; SMN2ALDH1A1HPGDTNKS
SCHEMBL6352575 0.80 KDM4E (0.59) TSHRSMN1; SMN2ALDH1A1HPGDTNKS
Phosphine SCHEMBL28493400 0.80 TSHR (0.72) TSHRPTPN1SMN1; SMN2ALDH1A1HPGD

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
CN-112048076-B Ternary supermolecule self-assembly up-conversion gel and preparation method and application thereof 广东工业大学 2022-04-19 CN disclosed