SCHEMBL8098686

SCHEMBL8098686

O=C1C(O)SCN1c1cccc(Oc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
HIF1A Q16665 2/20 0.43
MAPT P10636 1/20 0.43
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
KYAT1 Q16773 1/20 0.40
KYAT3 Q6YP21 1/20 0.40
AADAT Q8N5Z0 1/20 0.40
AKR1C3 P42330 1/20 0.40
MGLL Q99685 2/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MAOB P27338 1/20 0.39
PTGS1 P23219 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
FAAH O00519 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8089994 0.84 MGLL (0.45) MAPTMGLL
SCHEMBL8097433 0.83 MEN1 (0.44) MAPTPTGS1TSHRNPC1
SCHEMBL8097217 0.83 CTSG (0.41) THRBHIF1AMAPTCTSGCMA1
SCHEMBL8103660 0.81 NOTUM (0.45) FFAR4CYP3A4
SCHEMBL8090389 0.80 ALDH1A1 (0.43) MAPTCTSGCMA1MGLLTSHR
SCHEMBL8103211 0.78 FADS1 (0.44) MAPTMGLLFAAH
SCHEMBL8097531 0.78 FAAH (0.42) MGLLMAOBCYP2D6FAAHCYP2C9
SCHEMBL8096854 0.78 ATM (0.48) MGLL
SCHEMBL8099488 0.78 MAOA (0.47) MAPTMGLLMAOB
SCHEMBL8090575 0.78 PIM1 (0.41) MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed