SCHEMBL31443213

SCHEMBL31443213

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.60
ALDH1A1 P00352 5/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
GAA P10253 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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 0.89 CYP3A4 (0.77) CYP3A4ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL15768394 0.85 TSHR (0.55) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL31443218 0.83 CYP3A4 (0.68) CYP3A4ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL11799975 0.82 CYP3A4 (0.83) CYP3A4ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL11315296 0.80 CYP3A4 (0.73) CYP3A4ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL7179225 0.79 TSHR (0.78) CYP3A4ALDH1A1TSHRHSD17B10KMT2A
Ethane SCHEMBL28085459 0.77 CYP3A4 (0.92) CYP3A4ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL28035227 0.77 CYP3A4 (0.68) CYP3A4ALDH1A1TSHRHSD17B10KMT2A
Urethane SCHEMBL10981329 0.77 CYP3A4 (0.73) CYP3A4ALDH1A1TSHRHSD17B10KMT2A
SCHEMBL1569293 0.77 TSHR (0.80) 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