SCHEMBL28672635

SCHEMBL28672635

CCCCCCCCCc1ccc(OP=O)cc1.[Ni]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.55
▸ THRA P10827 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.50
▸ ESR1 P03372 2/20 0.50
▸ ADRA2A P08913 2/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ TACR2 P21452 2/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ SHBG P04278 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HSPD1 P10809 1/20 0.50
▸ ADRB3 P13945 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HSPE1 P61604 1/20 0.50

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
SCHEMBL971676 0.98 THRB (0.56) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL11368999 0.98 THRB (0.56) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL2232510 0.98 THRB (0.56) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL9796409 0.98 THRB (0.56) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL23535328 0.97 THRB (0.55) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL28491082 0.97 THRB (0.55) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL972339 0.91 THRB (0.47) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL28131364 0.79 THRB (0.45) THRBALDH1A1HSD17B10KMT2ATSHR
SCHEMBL941555 0.77 ESR1 (0.61) THRBTHRAALDH1A1ESR1ADRA2A
SCHEMBL9505414 0.77 ESR1 (0.61) THRBTHRAALDH1A1ESR1ADRA2A

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-115461382-A Metal-based catalyst for the production of polydienes 普利司通美国轮胎运营有限责任公司 2022-12-09 — — CN disclosed
CN-113906058-A Modified high cis polybutadiene polymers, related methods and rubber compositions 普利司通美国轮胎运营有限责任公司 2022-01-07 — — CN disclosed
CN-113825777-A Modified high cis polybutadiene polymers, related methods and tire components 株式会社普利司通 2021-12-21 — — CN disclosed
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