SCHEMBL16951972

SCHEMBL16951972

CCc1c(C)cccc1[C](C)CF

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 2/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
ACHE P22303 1/20 0.31
F2R P25116 1/20 0.31
CYP3A4 P08684 1/20 0.31
CD38 P28907 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
SCHEMBL16951178 0.83 KMT2A (0.36) RAB9AALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL16954721 0.83 ALDH1A1 (0.33) CXCR5TSHRRAB9APOLBPKM
SCHEMBL16952951 0.81 GABRA1 (0.42) TSHRALDH1A1HPGDKDM4EMEN1
SCHEMBL16952947 0.81 CA1 (0.35) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL16952726 0.80 TRPA1 (0.43) TSHRRAB9AALDH1A1HPGDKDM4E
SCHEMBL16957858 0.80 ALDH1A1 (0.37) CXCR5TSHRALDH1A1HPGDKDM4E
SCHEMBL16952460 0.80 KIT (0.34)
SCHEMBL16950629 0.80 ALDH1A1 (0.33) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16961987 0.80 GAA (0.40) TSHRPOLBALDH1A1KDM4EMEN1
SCHEMBL16953858 0.79 KAT6A (0.40) TSHRALDH1A1HPGDKDM4EHSD17B10

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