SCHEMBL30360985

SCHEMBL30360985

COc1ccc([C@H]2[C@H](C)[C@@H](C)[C@@H]2c2ccc(OC)c(Cl)c2)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.69
CA2 P00918 2/20 0.58
PTAFR P25105 1/20 0.44
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL25309520 0.81 QDPR (0.45) NR3C1GAAALDH1A1
SCHEMBL5584589 0.78 NR3C1 (0.42) NR3C1GAAALDH1A1
SCHEMBL28706020 0.75 PDE4B (0.43) NR3C1GAAALDH1A1
SCHEMBL31454776 0.74 GSTO1 (0.45) PTAFRGAAMEN1KMT2AALDH1A1
SCHEMBL28710853 0.74 MRGPRX4 (0.40) NR3C1GAAALDH1A1
SCHEMBL5584592 0.74 HTR2A (0.54)
Endiandrin A SCHEMBL31060940 0.73 NR3C1 (1.00) NR3C1CA2GAACYP3A4MEN1
SCHEMBL7092159 0.73 KDM1A (0.66) ALDH1A1
SCHEMBL7002457 0.73 KDM1A (0.66) ALDH1A1
SCHEMBL7002459 0.73 KDM1A (0.66) ALDH1A1

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-115850030-B Method for synthesizing cyclobutane lignans by utilizing visible light-silver salt multiphase photocatalysis 山东大学 2024-07-26 CN disclosed
CN-115850030-A Method for synthesizing cyclobutane lignans by utilizing visible light-silver salt heterogeneous photocatalysis 山东大学 2023-03-28 CN disclosed