SCHEMBL31074209

SCHEMBL31074209

OCC[C@H](O)c1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.50
TP53 P04637 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
KCNH2 Q12809 2/20 0.43
GRIN2B Q13224 3/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 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
SCHEMBL3192743 1.00 ADRA2C (0.50) ADRA2CTP53LMNAHTTKCNH2
SCHEMBL16372279 0.86 ADRA2C (0.49) ADRA2CTP53LMNAHTTKCNH2
SCHEMBL7453698 0.86 ADRA2C (0.51) ADRA2CTP53LMNAHTTKCNH2
SCHEMBL11452909 0.86 ADRA2C (0.51) ADRA2CTP53LMNAHTTKCNH2
SCHEMBL27671799 0.85 LMNA (0.48) ADRA2CTP53LMNAHTTKCNH2
SCHEMBL22206858 0.84 ALDH1A1 (0.40) ADRA2CTP53LMNAHTTNPSR1
SCHEMBL22206882 0.84 ALDH1A1 (0.40) ADRA2CTP53LMNAHTTNPSR1
SCHEMBL22206828 0.84 ALDH1A1 (0.40) ADRA2CTP53LMNAHTTNPSR1
SCHEMBL30445829 0.84 ALDH1A1 (0.40) ADRA2CTP53LMNAHTTNPSR1
SCHEMBL30446110 0.84 ALDH1A1 (0.40) ADRA2CTP53LMNAHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024183772-A1 CYCLIC PHOSPHATE COMPOUND AS DRUG FOR REGULATING CHOLESTEROL METABOLISM VIA LIVER DELIVERY AND USE 浙江柏拉阿图医药科技有限公司 2024-09-12 WO disclosed