SCHEMBL16956830

SCHEMBL16956830

[CH2]C(C)c1cc(Br)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
LPAR1 Q92633 1/20 0.40
CYP2D6 P10635 2/20 0.40
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
HPGD P15428 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL3917312 0.84 LPAR1 (0.49) LMNALPAR1CYP2D6TDP1KDM4E
SCHEMBL16960402 0.83 ALDH1A1 (0.40) LMNATDP1TSHRSMN1; SMN2ALDH1A1
SCHEMBL27885171 0.82 LMNA (0.42) LMNALPAR1CYP2D6TDP1KDM4E
SCHEMBL16961368 0.81 TSHR (0.47) LMNATDP1TSHRSMN1; SMN2ALDH1A1
SCHEMBL16955354 0.81 AMY1A (0.38) LMNALPAR1TDP1KDM4ETSHR
SCHEMBL23722503 0.81 LMNA (0.41) LMNALPAR1CYP2D6TDP1KDM4E
SCHEMBL6278872 0.81 LMNA (0.41) LMNALPAR1CYP2D6TDP1KDM4E
SCHEMBL20855486 0.81 CYP2D6 (0.49) LMNACYP2D6TDP1KDM4EADRA2A
SCHEMBL7426724 0.81 ADRA2A (0.45) LMNALPAR1CYP2D6TDP1KDM4E
SCHEMBL143912 0.81 CYP2D6 (0.49) LMNACYP2D6TDP1KDM4EADRA2A

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