SCHEMBL16953444

SCHEMBL16953444

[CH2]C(C)c1cc(F)ccc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ PSEN1 P49768 2/20 0.34
▸ PSEN2 P49810 2/20 0.34
▸ APH1B Q8WW43 2/20 0.34
▸ NCSTN Q92542 2/20 0.34
▸ APH1A Q96BI3 2/20 0.34
▸ PSENEN Q9NZ42 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ SLC6A4 P31645 2/20 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
SCHEMBL12197672 0.86 CYP1A2 (0.39) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL16959685 0.82 HRH4 (0.33) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL10039364 0.80 RECQL (0.36) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL4547940 0.80 RECQL (0.36) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL16960712 0.80 PSEN1 (0.46) RECQLPSEN1PSEN2APH1BNCSTN
SCHEMBL16952139 0.79 PSEN1 (0.38) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL24869062 0.78 PDE2A (0.48) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL16957963 0.78 KCNH2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24869041 0.78 MEN1 (0.41) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL16952125 0.78 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A

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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