SCHEMBL27138250

SCHEMBL27138250

CC(C)[C@]12CC[C@](C)(CC1)[C@H](OC(=O)c1ccccc1)[C@@H]2OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ CHRNA7 P36544 2/20 0.42
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ TSHR P16473 3/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38

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
SCHEMBL27134010 1.00 GAA (0.46) GAACHRNA7HTR3EHTR3BHTR3A
SCHEMBL27134260 0.95 GAA (0.42) GAACHRNA7HTR3EHTR3BHTR3A
SCHEMBL27134059 0.93 GAA (0.48) GAACHRNA7HTR3EHTR3BHTR3A
SCHEMBL27134208 0.92 PDCD1 (0.47) GAACHRNA7HTR3EHTR3BHTR3A
SCHEMBL27134058 0.88 GAA (0.55) GAACHRNA7HTR3EHTR3BHTR3A
SCHEMBL27134203 0.88 ESR1 (0.42) GAAKMT2AMEN1LMNATDP1
SCHEMBL27138253 0.88 ESR1 (0.42) GAAKMT2AMEN1LMNATDP1
SCHEMBL27134207 0.86 POLB (0.45) GAAKMT2AMEN1LMNAMAPK1
SCHEMBL26709875 0.85 CA1 (0.43) KMT2AMEN1ESR1NR1I2
SCHEMBL27134258 0.84 GAA (0.51) GAACHRNA7HTR3EHTR3BHTR3A

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
US-20240067764-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, OLEFIN POLYMERIZATION METHOD, AND PROPYLENE POLYMER MITSUI CHEMICALS, INC. (JP) 2024-02-29 — — US disclosed
US-20240067764-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, OLEFIN POLYMERIZATION METHOD, AND PROPYLENE POLYMER MITSUI CHEMICALS, INC. (JP) 2024-02-29 — — US disclosed
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