SCHEMBL9709645

SCHEMBL9709645

OC/C(Br)=C\c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.45
AKR1C3 P42330 1/20 0.45
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
AKR1C1 Q04828 1/20 0.39
ESR1 P03372 1/20 0.39
RECQL P46063 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
PAX8 Q06710 1/20 0.38
NR1I2 O75469 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4631524 1.00 FBP1 (0.45) FBP1AKR1C3ALDH1A1TSHRCYP3A4
SCHEMBL4631523 1.00 FBP1 (0.45) FBP1AKR1C3ALDH1A1TSHRCYP3A4
SCHEMBL25293192 0.81 FBP1 (0.45) FBP1AKR1C3ALDH1A1TSHRCYP3A4
SCHEMBL25293191 0.81 FBP1 (0.45) FBP1AKR1C3ALDH1A1TSHRCYP3A4
SCHEMBL31593396 0.79 FBP1 (0.44) FBP1AKR1C3ALDH1A1TSHRCYP3A4
SCHEMBL4706024 0.79 AKR1C3 (0.48) FBP1AKR1C3ALDH1A1TSHRCYP3A4
SCHEMBL14604985 0.79 AKR1C3 (0.48) FBP1AKR1C3ALDH1A1TSHRCYP3A4
SCHEMBL1241929 0.79 CYP3A4 (0.57) FBP1AKR1C3ALDH1A1TSHRCYP3A4
SCHEMBL29054963 0.79 FBP1 (0.44) FBP1AKR1C3ALDH1A1TSHRCYP3A4
SCHEMBL1309275 0.77 FBP1 (0.42) FBP1AKR1C3ALDH1A1TSHRCYP3A4

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
WO-1992015919-A1 LIQUID CRYSTAL ALIGNING AGENT AND ALIGNING AGENT-APPLIED LIQUID CRYSTAL DISPLAY DEVICE JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1992-09-17 WO disclosed