SCHEMBL9788474

SCHEMBL9788474

O=C(O)c1cccc(Oc2ccc(C(F)(F)F)c(Cl)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.69
AKR1C3 P42330 1/20 0.58
MRGPRX4 Q96LA9 6/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RAF1 P04049 3/20 0.49
LOXL2 Q9Y4K0 2/20 0.46
NR4A2 P43354 2/20 0.46
EPHX2 P34913 1/20 0.45
AR P10275 1/20 0.45

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
SCHEMBL11239459 0.89 KMO (0.54) KMOAKR1C3MRGPRX4RAB9ARAF1
SCHEMBL8782617 0.82 KMO (1.00) KMOAKR1C3MRGPRX4NPC1RAB9A
SCHEMBL11237769 0.82 MEN1 (0.55) NPC1RAB9ARAF1
SCHEMBL22480858 0.81 MRGPRX4 (0.73) MRGPRX4NR4A2
SCHEMBL4742580 0.80 AKR1C3 (0.70) KMOAKR1C3MRGPRX4NPC1RAB9A
SCHEMBL27947313 0.80 MRGPRX4 (0.64) KMOAKR1C3MRGPRX4NPC1RAB9A
SCHEMBL10804845 0.79 MRGPRX4 (0.49) KMOAKR1C3MRGPRX4NPC1RAB9A
SCHEMBL6014335 0.79 RAF1 (0.79) RAB9ARAF1EPHX2
SCHEMBL1920001 0.78 TSHR (0.59) KMOMRGPRX4
SCHEMBL29624981 0.78 TSHR (0.59) KMOMRGPRX4

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
US-5026895-A For cultivated plants BUDAPESTI VEGYIMUVEK (HU) 1991-06-25 US claimed
CN-101274889-B Preparation for 3-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyoxy) benzoic acid QINGDAO HANSEN BIOLOG SCIENCE CO LTD 2012-02-29 CN disclosed
CN-101274889-A Preparation for 3-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyoxy) benzoic acid QINGDAO HANSEN BIOLOG SCIENCE (CN) 2008-10-01 CN disclosed
US-5026895-A For cultivated plants BUDAPESTI VEGYIMUVEK (HU) 1991-06-25 US disclosed