SCHEMBL9788489

SCHEMBL9788489

O=C(O)c1cccc(Oc2ccccc2C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.61
AKR1C3 P42330 1/20 0.61
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
LPAR1 Q92633 1/20 0.49
LPAR5 Q9H1C0 1/20 0.49
ENPP2 Q13822 1/20 0.49
KMO O15229 1/20 0.49
LOXL2 Q9Y4K0 2/20 0.48
NR4A2 P43354 3/20 0.48
TTR P02766 1/20 0.48
SERPINE1 P05121 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL27947313 0.87 MRGPRX4 (0.64) MRGPRX4AKR1C3RXRAKMOLOXL2
SCHEMBL10670283 0.85 RXRA (0.54) MRGPRX4AKR1C3RXRARXRBRXRG
SCHEMBL29466776 0.84 AKR1C3 (0.79) MRGPRX4AKR1C3KMONR4A2TTR
SCHEMBL1042630 0.84 AKR1C3 (0.79) MRGPRX4AKR1C3KMONR4A2TTR
Hydrochloric Acid SCHEMBL8434547 0.82 AKR1C3 (0.76) MRGPRX4AKR1C3KMONR4A2TTR
Hydrochloric Acid SCHEMBL8434544 0.82 AKR1C3 (0.76) MRGPRX4AKR1C3KMONR4A2TTR
SCHEMBL8059639 0.82 TTR (0.62) MRGPRX4AKR1C3RXRARXRBRXRG
SCHEMBL27824670 0.80 AKR1C3 (0.67) MRGPRX4AKR1C3LPAR1LPAR5KMO
SCHEMBL1676646 0.79 LTA4H (0.53) RXRARXRBRXRGLPAR1LPAR5
SCHEMBL8941555 0.78 AR (0.47) MRGPRX4RXRARXRBRXRGRAB9A

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 3 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
US-5026895-A For cultivated plants BUDAPESTI VEGYIMUVEK (HU) 1991-06-25 US disclosed
EP-0003416-B1 DIPHENYL ETHER COMPOUNDS USEFUL AS HERBICIDES; METHODS OF USING THEM, PROCESSES FOR PREPARING THEM, AND HERBICIDAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-26 EP disclosed