SCHEMBL15330354

SCHEMBL15330354

O=Cc1ccc(OC(F)(F)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ PARP10 Q53GL7 1/20 0.43
▸ PARP3 Q9Y6F1 1/20 0.43
▸ DRD1 P21728 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ALDH1A3 P47895 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ STS P08842 1/20 0.39
▸ ALDH5A1 P51649 1/20 0.39
▸ ABAT P80404 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL23519065 0.80 EPHX2 (0.55) KMT2AFAAHEPHX2GAAMAPT
SCHEMBL2560533 0.80 SRC (0.49) ALDH1A1KMT2ADRD1KDM4EGAA
SCHEMBL2397439 0.79 GAA (0.57) ALDH1A1KMT2AEPHX2GAAMEN1
SCHEMBL28068274 0.79 ALDH1A1 (0.48) ALDH1A1CYP2A6KMT2APARP10PARP3
SCHEMBL17674534 0.78 SSTR4 (0.43) ALDH1A1KMT2AEPHX2GAAMEN1
SCHEMBL97114 0.78 ALDH1A1 (0.52) ALDH1A1CYP2A6KMT2APARP10PARP3
SCHEMBL2559092 0.78 PPARA (0.62) ALDH1A1CYP2A6KMT2AKDM4EMEN1
SCHEMBL23519000 0.77 TRPV1 (0.49) ALDH1A1KMT2AEPHX2GAAMEN1
SCHEMBL23519394 0.77 LMNA (0.45) ALDH1A1KMT2AEPHX2GAAMEN1
SCHEMBL21612881 0.77 LDHA (0.46) ALDH1A1KMT2AEPHX2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
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