SCHEMBL25896163

SCHEMBL25896163

C=C(C)C(=O)OC(C)(C)CC(C)Oc1ccc2cc(-c3ccc(OC)cc3OC(F)(F)F)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.43
▸ F2RL3 Q96RI0 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ APP P05067 3/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ SRD5A1 P18405 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ SLC16A3 O15427 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL23893402 0.88 PTPN1 (0.45) PTPN1F2RL3ALDH1A1GAAHPGD
SCHEMBL23395600 0.88 ALOX5 (0.38) PTPN1ALDH1A1
SCHEMBL23395485 0.87 S1PR1 (0.34) PTPN1ALDH1A1
SCHEMBL25898459 0.87 PTPN1 (0.43) PTPN1F2RL3ALDH1A1GAAHPGD
SCHEMBL23395618 0.85 PTPN1 (0.41) PTPN1F2RL3ALDH1A1GAAHPGD
SCHEMBL23395488 0.81 PTPN1 (0.40) PTPN1MAOBSRD5A1SRD5A2
SCHEMBL25896377 0.80 — —
SCHEMBL23893404 0.80 MAPT (0.41) ALDH1A1GAAHPGDPTGS2POLB
SCHEMBL25895737 0.79 RAB9A (0.35) PTPN1F2RL3ALDH1A1GAAHPGD
SCHEMBL25896514 0.79 FPR1 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 — — EP disclosed
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