SCHEMBL16961984

SCHEMBL16961984

[CH2]C(CO)c1cc(F)ccc1OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MRGPRX1 Q96LB2 6/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34

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
SCHEMBL16960641 0.85 L3MBTL1 (0.39) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL16953760 0.85 ADRA2A (0.38) CYP1A2FFAR4USP2SMN1; SMN2ALDH1A1
SCHEMBL16954024 0.83 KCNH2 (0.36) L3MBTL1KMT2AMEN1
SCHEMBL16958312 0.82 L3MBTL1 (0.41) L3MBTL1TDP1KMT2AMEN1NPC1
SCHEMBL21816495 0.82 L3MBTL1 (0.39) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL16962099 0.81 L3MBTL1 (0.41) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL16961643 0.81 HPGD (0.48) L3MBTL1KMT2AMEN1NPC1RAB9A
SCHEMBL16961608 0.81 HTT (0.33) KMT2ASMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL16960393 0.81 TSHR (0.48) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL16957028 0.80 CYP1A2 (0.50) L3MBTL1CYP1A2CYP2C19KMT2AMEN1

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
Send feedback