SCHEMBL9751987

SCHEMBL9751987

Oc1ccccc1Cc1ccc(C(F)(F)F)cc1O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.57
KEAP1 Q14145 1/20 0.43
ALOX5 P09917 1/20 0.41
IDO1 P14902 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
MAOB P27338 1/20 0.39
CYP2D6 P10635 2/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
P2RX1 P51575 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLQ O75417 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
CRHBP P24387 1/20 0.37
RAB9A P51151 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL2576294 0.80 KEAP1 (0.63) HSPA5KEAP1ALOX5TSHRNPC1
SCHEMBL2577342 0.79 ACP3 (0.49) HSPA5KEAP1IDO1MAOBMEN1
SCHEMBL31744684 0.78 GPR84 (0.52) HSPA5CYP3A4MEN1KMT2A
SCHEMBL1045742 0.77 KLF10 (0.46) IDO1ANO1KDM4EMEN1KMT2A
SCHEMBL25809654 0.77 MPO (0.68) TSHRKDM4E
SCHEMBL29357407 0.76 HSPA5 (1.00) HSPA5KEAP1IDO1CYP2D6TSHR
SCHEMBL49745 0.76 HSPA5 (1.00) HSPA5KEAP1IDO1CYP2D6TSHR
SCHEMBL28849553 0.76 IDO1 (0.43) IDO1ANO1KDM4EPOLQMEN1
SCHEMBL12806555 0.76 ESR1 (0.48) IDO1ANO1POLQMEN1KMT2A
SCHEMBL5435480 0.74 IDO1 (0.42) IDO1ANO1CYP2D6CYP3A4KDM4E

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-0439607-A4 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES 1991-12-04 EP disclosed
EP-0439607-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES ISK BIOSCIENCES CORPORATION (US) 1991-08-07 EP disclosed
WO-1991000009-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES FERMENTA ASC CORPORATION (US) 1991-01-10 WO disclosed
US-4976770-A POSTEMERGENCE, PREEMERGENCE HERBICIDES FERMENTA ASC CORPORATION (US) 1990-12-11 US disclosed