SCHEMBL31443218

SCHEMBL31443218

C=CCOC(=O)c1ccccc1C.COC(=O)c1ccccc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.68
ALDH1A1 P00352 6/20 0.59
TSHR P16473 3/20 0.59
HSD17B10 Q99714 3/20 0.59
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
KMT2A Q03164 7/20 0.46
MEN1 O00255 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.45
GAA P10253 2/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL8238432 0.94 CYP3A4 (0.77) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL5805015 0.91 CYP3A4 (0.83) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL27597729 0.86 CYP3A4 (0.65) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL28221608 0.85 CYP3A4 (0.59) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL11315296 0.85 CYP3A4 (0.73) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
Bicarbonate SCHEMBL28835043 0.83 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL31443213 0.83 CYP3A4 (0.60) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
Ethane SCHEMBL28085459 0.82 CYP3A4 (0.92) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL28035227 0.82 CYP3A4 (0.68) CYP3A4ALDH1A1TSHRHSD17B10ADRB2
SCHEMBL29362146 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRHSD17B10KMT2A

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-119591771-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 2025-03-11 CN claimed
CN-119591771-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 2025-03-11 CN disclosed