SCHEMBL16953417

SCHEMBL16953417

[CH2]C(CF)c1cc(Br)ccc1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ DHFR P00374 1/20 0.37
▸ CYSLTR2 Q9NS75 1/20 0.36
▸ CYSLTR1 Q9Y271 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ GRM5 P41594 1/20 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
SCHEMBL16950830 0.89 HPGD (0.47) TSHRHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL16950337 0.85 KDM4E (0.38) TSHRALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL16961643 0.84 HPGD (0.48) TSHRHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL16960641 0.82 L3MBTL1 (0.39) ALDH1A1LMNAGAAL3MBTL1MAPT
SCHEMBL16956882 0.82 MAPT (0.41) TSHRHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL16961368 0.81 TSHR (0.47) TSHRHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL16959581 0.81 GAA (0.47) TSHRHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL16954699 0.80 TRPV4 (0.46) HPGDALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL16954198 0.79 HPGD (0.49) TSHRHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL16954881 0.77 PYCR1 (0.33) TSHRHPGDSMN1; SMN2LMNAL3MBTL1

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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