SCHEMBL29910307

SCHEMBL29910307

C=CCOC(=O)CCCCCC(C)C

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
TDP1 Q9NUW8 2/20 0.57
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
EPHX2 P34913 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.41
DGKA P23743 1/20 0.39
PTPN1 P18031 1/20 0.39
KDM4C Q9H3R0 2/20 0.38
KDM4A O75164 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL28550279 1.00 TSHR (0.67) TSHRTDP1LMNAALDH1A1EPHX2
SCHEMBL28931215 0.93 TSHR (0.61) TSHRTDP1LMNAALDH1A1EPHX2
SCHEMBL7783972 0.85 TDP1 (0.64) TSHRTDP1ALDH1A1EPHX2GAA
SCHEMBL5392962 0.85 TSHR (0.81) TSHRTDP1LMNAALDH1A1EPHX2
SCHEMBL11795597 0.85 TSHR (0.81) TSHRTDP1LMNAALDH1A1EPHX2
SCHEMBL180289 0.85 TSHR (0.81) TSHRTDP1LMNAALDH1A1EPHX2
SCHEMBL10834721 0.85 TSHR (0.81) TSHRTDP1LMNAALDH1A1EPHX2
SCHEMBL632341 0.85 TSHR (0.81) TSHRTDP1LMNAALDH1A1EPHX2
SCHEMBL3120781 0.85 TSHR (0.81) TSHRTDP1LMNAALDH1A1EPHX2
SCHEMBL2492438 0.85 TSHR (0.60) TSHRTDP1LMNAALDH1A1EPHX2

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-119894387-A Flavor modulating composition 玉米产品开发公司 2025-04-25 CN disclosed
CN-117835831-A Flavor modulating composition 玉米产品开发公司 2024-04-05 CN disclosed
WO-2022185977-A1 OIL-WATER MIXED COMPOSITION 株式会社資生堂 2022-09-09 WO disclosed