SCHEMBL31544641

SCHEMBL31544641

CCCCCC(C)(CO)C(O)CCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
CYP2D6 P10635 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CETP P11597 1/20 0.33
HTT P42858 1/20 0.33
UBE2N P61088 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GPR84 Q9NQS5 3/20 0.31
GGPS1 O95749 2/20 0.31
FDPS P14324 2/20 0.31

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
SCHEMBL10953214 0.85 TSHR (0.33) LMNATSHR
SCHEMBL9345924 0.84 LMNA (0.39) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL11904298 0.82 ALDH1A1 (0.35) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL28281226 0.81 GPR84 (0.39) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL9733658 0.81 SMN1; SMN2 (0.36) LMNASMN1; SMN2GGPS1FDPSALDH1A1
SCHEMBL28275286 0.79 TSHR (0.42) ALDH1A1TSHR
SCHEMBL18124683 0.79 SMN1; SMN2 (0.38) LMNASMN1; SMN2GGPS1FDPSALDH1A1
SCHEMBL18124692 0.79 SMN1; SMN2 (0.38) LMNASMN1; SMN2GGPS1FDPSALDH1A1
SCHEMBL23627348 0.78 LMNA (0.40) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL8028876 0.78 SMN1; SMN2 (0.33) LMNASMN1; SMN2GGPS1FDPSALDH1A1

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-120005137-A Microcapsule closed type polybasic isocyanate, medium, grating and preparation method and equipment 珠海莫界科技有限公司 2025-05-16 CN claimed
CN-120005137-A Microcapsule closed type polybasic isocyanate, medium, grating and preparation method and equipment 珠海莫界科技有限公司 2025-05-16 CN disclosed