SCHEMBL26049776

SCHEMBL26049776

CCCCCCCCCCCCCCOc1ccc(C(=O)OC(CO)CO)o1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CNR2 P34972 10/20 0.43
▸ CNR1 P21554 8/20 0.43
▸ FAAH O00519 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ TSHR P16473 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
SCHEMBL991661 0.86 MEN1 (0.68) MEN1KMT2ATDP1MAPK1ALDH1A1
SCHEMBL991850 0.82 MEN1 (0.73) MEN1KMT2ATDP1MAPK1ALDH1A1
SCHEMBL18013744 0.82 TDP1 (0.73) MEN1KMT2ATDP1MAPTMAPK1
SCHEMBL11563597 0.82 MEN1 (0.73) MEN1KMT2ATDP1MAPK1ALDH1A1
SCHEMBL26049775 0.81 MEN1 (0.54) MEN1KMT2ATDP1MAPTMAPK1
SCHEMBL26049789 0.81 MEN1 (0.60) MEN1KMT2ATDP1CNR2FAAH
SCHEMBL11555708 0.81 MEN1 (0.60) MEN1KMT2ATDP1MAPK1ALDH1A1
SCHEMBL11561310 0.81 MEN1 (0.60) MEN1KMT2ATDP1MAPK1ALDH1A1
SCHEMBL11554831 0.81 MEN1 (0.71) MEN1KMT2ATDP1MAPTMAPK1
SCHEMBL11558044 0.81 MEN1 (0.71) MEN1KMT2ATDP1MAPTMAPK1

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
WO-2023151898-A1 TOFA ANALOGUES, SEBUM REDUCTION PREPARATIONS CONTAINING SAID TYPE OF ANALOGUES AND THE COSMETIC AND/OR THERAPEUTIC USE OF SAID TYPE OF ANALOGUES AS AN EFFECTIVE PRINCIPLE FOR REDUCING OR PREVENTING SEBUM BEIERSDORF AG (DE) 2023-08-17 — — WO disclosed
WO-2023151897-A1 TOFA ANALOGUES, SEBUM REDUCTION PREPARATIONS CONTAINING SAID TYPE OF ANALOGUES AND THE COSMETIC AND/OR THERAPEUTIC USE OF SAID TYPE OF ANALOGUES AS AN EFFECTIVE PRINCIPLE FOR REDUCING OR PREVENTING SEBUM BEIERSDORF AG (DE) 2023-08-17 — — WO disclosed
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