SCHEMBL30901583

SCHEMBL30901583

CC=C(C)CCOC(=O)c1ccccc1C(=O)OCCC(C)=CC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
TSHR P16473 9/20 0.58
TDP1 Q9NUW8 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
CYP3A4 P08684 4/20 0.54
MAPK1 P28482 3/20 0.54
TP53 P04637 2/20 0.54
LMNA P02545 2/20 0.53
NPC1 O15118 2/20 0.49
HSD17B10 Q99714 4/20 0.45
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL29220215 1.00 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL29220216 0.94 ALDH1A1 (0.53) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL29220385 0.82 SERPINE1 (0.53) ALDH1A1TSHRTDP1L3MBTL1POLB
SCHEMBL3873329 0.81 ALDH1A1 (0.58) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28716635 0.80 ALDH1A1 (0.61) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL29220393 0.79 HSP90AA1 (0.40) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL16986049 0.77 TSHR (0.61) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL15852963 0.77 TSHR (0.71) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL24612905 0.76 ALDH1A1 (0.55) ALDH1A1L3MBTL1TP53LMNANPC1
SCHEMBL3873330 0.76 ALDH1A1 (0.51) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-118108889-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-118108889-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed