SCHEMBL29023673

SCHEMBL29023673

CCCCOC(O)C(CC)C(O)CCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
SPHK1 Q9NYA1 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TSHR P16473 1/20 0.31
DNM1 Q05193 1/20 0.31
ALDH1A1 P00352 2/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL7107869 0.79 TSHR (0.36) LMNASPHK1CYP3A4CYP2C9CYP2C19
SCHEMBL14975586 0.78 TSHR (0.42) CYP3A4CYP2C9CYP2C19TSHRDNM1
SCHEMBL18759592 0.75 LMNA (0.52) LMNASPHK1CYP3A4TSHRALDH1A1
SCHEMBL15967789 0.74 TSHR (0.36) LMNACYP3A4CYP2C9CYP2C19TSHR
SCHEMBL22057293 0.73 HTT (0.32) LMNATSHRDNM1ALDH1A1ADRB2
SCHEMBL13108354 0.72 TSHR (0.34) SPHK1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL11417020 0.72 SPHK1 (0.35) LMNASPHK1CYP3A4CYP2C9CYP2C19
SCHEMBL4248982 0.72 USP2 (0.39) LMNASPHK1CYP3A4CYP2C9CYP2C19
SCHEMBL15136776 0.72 LMNA (0.38) LMNATSHR
SCHEMBL27802090 0.72 MGAM (0.43) LMNASPHK1CYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112730291-B Qualitative and quantitative marker of silkworm counterfeit product and detection method thereof 江苏省中医院 2022-09-30 CN claimed
CN-112730291-A Qualitative and quantitative marker of silkworm counterfeit product and detection method thereof 江苏省中医院 2021-04-30 CN claimed
CN-112730291-B Qualitative and quantitative marker of silkworm counterfeit product and detection method thereof 江苏省中医院 2022-09-30 CN disclosed
CN-112730291-A Qualitative and quantitative marker of silkworm counterfeit product and detection method thereof 江苏省中医院 2021-04-30 CN disclosed