SCHEMBL28148802

SCHEMBL28148802

CCOc1cccc2cc(C(=O)O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.56
PTPN1 P18031 1/20 0.55
TSHR P16473 2/20 0.55
TTR P02766 1/20 0.53
POLB P06746 1/20 0.51
CASP6 P55212 1/20 0.51
GAA P10253 1/20 0.50
DAPK1 P53355 1/20 0.49
PIM3 Q86V86 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CREBBP Q92793 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
NFKB1 P19838 2/20 0.47

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
SCHEMBL23152135 0.88 MRGPRX4 (0.56) MRGPRX4TSHRTTRPOLBCASP6
SCHEMBL8214320 0.86 ALDH1A1 (0.55) TSHRALDH1A1HPGDTP53
SCHEMBL6564724 0.85 KDM4E (0.67) MRGPRX4PTPN1TSHRPOLBDAPK1
SCHEMBL29262286 0.84 MRGPRX4 (0.52) MRGPRX4TSHRTTRPOLBCASP6
SCHEMBL20515885 0.83 TSHR (0.53) MRGPRX4TSHRPOLBCASP6GAA
SCHEMBL1144405 0.83 KDM4E (0.62) MRGPRX4PTPN1TSHRTTRRAB9A
SCHEMBL10780256 0.82 PTPN1 (0.53) MRGPRX4PTPN1TSHRTTRGAA
SCHEMBL4328550 0.80 ALDH1A1 (0.58) MRGPRX4PTPN1TSHRTTRPOLB
SCHEMBL1672695 0.80 PLA2G4B (0.47) MRGPRX4PTPN1TSHRSMN1; SMN2MEN1
SCHEMBL22570609 0.80 PTPN1 (0.60) MRGPRX4PTPN1DAPK1PIM3RAB9A

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-107266667-A Copolyester imide derived from aromatic dicarboxylic acid and aliphatic diol and the film being made from it 杜邦帝人薄膜美国有限公司 2017-10-20 CN disclosed
CN-105612193-B Copolyesterimides derived from aromatic dicarboxylic acids and aliphatic diols and films made therefrom 杜邦帝人薄膜美国有限公司 2017-07-28 CN disclosed