SCHEMBL24522750

SCHEMBL24522750

C=CC(=O)OCCCCCOc1cc(=O)oc2c(F)cc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.34
▸ KCNA3 P22001 1/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ HTR1A P08908 5/20 0.32
▸ HTR2A P28223 4/20 0.32
▸ TP53 P04637 2/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL24522860 0.82 KCNA3 (0.44) TSHRALDH1A1CYP3A4HPGDKCNA3
SCHEMBL24522784 0.82 GAA (0.38) ALDH1A1HPGDKCNA3HDAC1CA9
SCHEMBL24522627 0.76 PRKDC (0.41) TSHRALDH1A1CYP3A4HPGDKCNA3
SCHEMBL24522875 0.76 HDAC1 (0.39) TSHRALDH1A1CYP3A4HPGDKCNA3
SCHEMBL24522988 0.76 KCNA3 (0.62) TSHRALDH1A1CYP3A4KCNA3CA12
SCHEMBL24522650 0.76 KCNA3 (0.62) TSHRALDH1A1CYP3A4KCNA3CA12
SCHEMBL24522975 0.76 KCNA3 (0.62) TSHRALDH1A1CYP3A4KCNA3CA12
SCHEMBL24522688 0.76 KCNA3 (0.62) TSHRALDH1A1CYP3A4KCNA3CA12
SCHEMBL24522872 0.74 HDAC1 (0.37) TSHRALDH1A1CYP3A4HPGDKCNA3
SCHEMBL24531635 0.72 ALDH1A1 (0.51) TSHRALDH1A1CYP3A4HPGDKCNA3

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-2022128832-A1 OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2022-06-23 — — WO disclosed
EP-4015512-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2022-06-22 — — EP disclosed
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