SCHEMBL23886964

SCHEMBL23886964

O=CCCc1cc(C(F)(F)F)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.43
▸ ESR1 P03372 3/20 0.42
▸ ESR2 Q92731 3/20 0.42
▸ NQO2 P16083 1/20 0.40
▸ KLF10 Q13118 1/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ ANO1 Q5XXA6 2/20 0.38
▸ CHRNA7 P36544 1/20 0.37
▸ P2RX1 P51575 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CES2 O00748 2/20 0.35

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
SCHEMBL1745725 0.83 MEN1 (0.45) MEN1KMT2AFFAR4ESR1ESR2
SCHEMBL8226170 0.81 IDO1 (0.54) IDO1CYP2D6POLB
SCHEMBL14082696 0.81 CES2 (0.43) IDO1CYP2D6CES2
SCHEMBL18586803 0.80 IDO1 (0.38) IDO1MAPTTHRATHRBCES2
SCHEMBL8226773 0.80 DAO (0.40) FFAR4IDO1MAPT
SCHEMBL17141554 0.79 MEN1 (0.47) MEN1KMT2AFFAR4ESR1ESR2
SCHEMBL585296 0.78 IDO1 (0.54) IDO1
SCHEMBL28657780 0.77 CA3 (0.38) ANO1MAPT
SCHEMBL1400639 0.77 ESR1 (0.51) MEN1KMT2AFFAR4ESR1ESR2
SCHEMBL178283 0.77 ESR1 (0.69) MEN1KMT2AFFAR4ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 — — EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 — — WO disclosed
EP-4126851-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASES ASSOCIATED WITH P13K MODULATION Petra Pharma Corporation (US) 2023-02-08 — — EP disclosed
WO-2021202964-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASES ASSOCIATED WITH P13K MODULATION PETRA PHARMA CORPORATION (US) 2021-10-07 — — WO disclosed
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