SCHEMBL15517409

SCHEMBL15517409

C[C](C)c1cc(Cl)cc(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.36
TPMT P51580 1/20 0.36
TSHR P16473 1/20 0.32
CTSL P07711 1/20 0.32
HCAR1 Q9BXC0 1/20 0.31
ACLY P53396 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL6246571 0.82 TPMT (0.43) GPR139TPMTHCAR1ACLYMEN1
SCHEMBL16954380 0.82 CYP3A4 (0.36) TSHR
SCHEMBL3073672 0.82 TSHR (0.50) TPMTTSHRHCAR1
SCHEMBL16957490 0.79 GPR139 (0.36) GPR139TPMTGPR35
SCHEMBL2171006 0.74 TPMT (0.44) GPR139TPMTHCAR1ACLYMEN1
SCHEMBL986020 0.74 TPMT (0.44) GPR139TPMTHCAR1ACLYMEN1
SCHEMBL29912726 0.74 TPMT (0.70) GPR139TPMTTSHRHCAR1ACLY
SCHEMBL560354 0.74 TPMT (0.70) GPR139TPMTTSHRHCAR1ACLY
SCHEMBL29912760 0.74 TPMT (0.44) GPR139TPMTHCAR1ACLYMEN1
SCHEMBL30605100 0.74 GPR139 (0.45) GPR139TPMTACLYMEN1KMT2A

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 7 patents. 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
EP-2887802-A2 METHODS OF SOIL PEST CONTROL Syngenta Participations AG (CH) 2015-07-01 EP disclosed
WO-2014029706-A2 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029707-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029708-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029710-A2 METHODS OF SOIL PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014019609-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2014-02-06 WO disclosed