SCHEMBL10501744

SCHEMBL10501744

FC(F)(F)C1=C(c2ccccc2C(F)(F)F)[CH]CC=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.37
NOTUM Q6P988 2/20 0.35
GALR1 P47211 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
C1R P00736 1/20 0.33
AR P10275 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C9 P11712 1/20 0.33
RECQL P46063 1/20 0.33
PSMB8 P28062 1/20 0.33
ACP1 P24666 1/20 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
SCHEMBL5181630 0.77 KIF11 (0.36) ALDH1A1TSHR
SCHEMBL197671 0.69 HSD11B1 (0.56) HSD11B1NOTUMALDH1A1HPGDAR
Hydrochloric Acid SCHEMBL29010139 0.66 HSD11B1 (0.54) HSD11B1NOTUMALDH1A1HPGDAR
SCHEMBL8022901 0.66 HSD11B1 (0.54) HSD11B1NOTUMALDH1A1HPGDAR
SCHEMBL6182001 0.64
SCHEMBL15540806 0.64 HSD11B1 (0.47) HSD11B1NOTUMGALR1ALDH1A1HPGD
SCHEMBL22304414 0.63 AR (0.58) HSD11B1NOTUMALDH1A1ARCYP1A2
SCHEMBL5259317 0.62
SCHEMBL2957330 0.62 HSD11B1 (0.39) HSD11B1NOTUMGALR1ALDH1A1HPGD
SCHEMBL24297565 0.61 AR (0.56) HSD11B1NOTUMALDH1A1ARCYP1A2

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
US-4880932-A PLANT GROWTH REGULATORS, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-11-14 US disclosed