SCHEMBL25363129

SCHEMBL25363129

O=C(O)c1ccc(C2(c3ccccc3)COC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.46
▸ DAO P14920 1/20 0.46
▸ NAPRT Q6XQN6 1/20 0.46
▸ SRD5A2 P31213 3/20 0.45
▸ CES2 O00748 1/20 0.45
▸ CES1 P23141 1/20 0.45
▸ PKM P14618 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ RXRA P19793 3/20 0.43
▸ TRPA1 O75762 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ TYR P14679 1/20 0.39

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
SCHEMBL8439272 0.82 RXRA (0.58) TSHRDAONAPRTSRD5A2CES2
SCHEMBL25364240 0.82 TSHR (0.55) TSHRTP53CYP2C9NPC1RAB9A
SCHEMBL12488444 0.82 OPRM1 (0.46) DAOCYP2C9
SCHEMBL25363846 0.79 ESR1 (0.48) TSHRTP53CYP2C9NPC1CA12
SCHEMBL25362579 0.78 KDM4E (0.50) GAACA1CA2
SCHEMBL12493168 0.77 WDR91 (0.53) TSHRDAONAPRTSRD5A2CES2
SCHEMBL17503456 0.76 RXRA (0.64) TSHRDAONAPRTSRD5A2CES2
SCHEMBL20768462 0.76 TSHR (0.46) TSHRDAONAPRTSRD5A2CES2
SCHEMBL15661299 0.76 TP53 (0.46) TSHRSRD5A2TP53RXRACA12
SCHEMBL5081784 0.75 TSHR (0.52) TSHRDAONAPRTSRD5A2CES2

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
EP-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 — — EP disclosed
CN-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 — — CN disclosed
WO-2022066774-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-03-31 — — WO disclosed
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