SCHEMBL16954372

SCHEMBL16954372

C=Cc1cc(Br)ccc1CCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.37
▸ TSHR P16473 1/20 0.35
▸ EDNRB P24530 2/20 0.35
▸ EDNRA P25101 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ ERN1 O75460 1/20 0.32
▸ HTT P42858 3/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ PYCR1 P32322 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31

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
SCHEMBL16956364 0.85 ERN1 (0.38) HPGDTSHREDNRBEDNRAMEN1
SCHEMBL27997027 0.81 ERN1 (0.48) HPGDTSHREDNRBEDNRAMEN1
SCHEMBL16957804 0.81 HPGD (0.41) HPGDTSHREDNRBEDNRAMEN1
SCHEMBL16953613 0.79 SRC (0.39) TSHRMEN1KMT2ACYP1A2ALDH1A1
SCHEMBL12802540 0.79 CNR1 (0.41) HTR1DTHRB
SCHEMBL29051209 0.79 ALDH1A1 (0.37) ALDH1A1CHRNB2CHRNA7CHRNA4SLC6A2
SCHEMBL16954167 0.78 KCNH2 (0.36) HPGDTSHRMEN1KMT2ACYP1A2
SCHEMBL16957489 0.78 LMNA (0.38) HTTSLC6A2SLC6A4MAPTTHRB
SCHEMBL11717708 0.76 EDNRB (0.39) HPGDTSHREDNRBEDNRAMEN1
SCHEMBL3679575 0.75 TYR (0.36) HPGDMEN1KMT2AALDH1A1HTT

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