SCHEMBL31443220

SCHEMBL31443220

C=CCOC(=O)CC.CCC(=O)OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
PKM P14618 1/20 0.37
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NAAA Q02083 1/20 0.34
MAPT P10636 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL194711 0.88
Methane SCHEMBL27480384 0.86
Water SCHEMBL28111613 0.86
Ethylene SCHEMBL7133194 0.86 TSHR (0.57) TSHRTDP1SMN1; SMN2PKMCYP3A4
Hydrochloric Acid SCHEMBL27874012 0.86
Ammonia Solution, Strong SCHEMBL4793964 0.86
SCHEMBL27849530 0.85 TSHR (0.49) TSHRTDP1SMN1; SMN2PKMCYP3A4
Propene SCHEMBL27844941 0.84 LMNA (0.45) TSHRTDP1LMNASMN1; SMN2MAPT
Acetone SCHEMBL28225172 0.84 TSHR (0.55) TSHRTDP1LMNASMN1; SMN2PKM
SCHEMBL27379315 0.84 TSHR (0.55) TSHRTDP1SMN1; SMN2PKMCYP3A4

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