SCHEMBL7981057

SCHEMBL7981057

O=C(O)C(F)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.52
GRM6 O15303 1/20 0.52
GRM4 Q14833 1/20 0.52
VCAM1 P19320 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HIF1A Q16665 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 6/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 2/20 0.48
CA1 P00915 1/20 0.44
MMP2 P08253 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GAA P10253 2/20 0.42
MITF O75030 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CASP6 P55212 1/20 0.41
AKR1C2 P52895 2/20 0.40

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
SCHEMBL3390088 0.87 ATM (0.51) GRM8GRM6GRM4VCAM1ALDH1A1
SCHEMBL27801903 0.83 AKR1C3 (0.55) GRM8GRM6GRM4VCAM1ALDH1A1
SCHEMBL7976506 0.82 SMN1; SMN2 (0.47) GRM8GRM6GRM4VCAM1ALDH1A1
SCHEMBL2698568 0.81 ALDH1A1 (0.58) GRM8GRM6GRM4VCAM1ALDH1A1
SCHEMBL30155394 0.81 ALDH1A1 (0.58) GRM8GRM6GRM4VCAM1ALDH1A1
SCHEMBL2438044 0.81 GRM8 (0.50) GRM8GRM6GRM4ALDH1A1HIF1A
SCHEMBL20576274 0.80 GRM8 (0.52) GRM8GRM6GRM4VCAM1ALDH1A1
SCHEMBL29975742 0.79 GRM8 (0.57) GRM8GRM6GRM4VCAM1ALDH1A1
SCHEMBL21853759 0.79 GRM8 (0.57) GRM8GRM6GRM4VCAM1ALDH1A1
SCHEMBL21853758 0.79 GRM8 (0.57) GRM8GRM6GRM4VCAM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112457153-B Industrial preparation method of 2,4, 5-trifluoro-phenylacetic acid 台州臻挚生物科技有限公司 2022-09-09 CN claimed
CN-112457153-A Industrial preparation method of 2,4, 5-trifluoro-phenylacetic acid 杭州臻挚生物科技有限公司 2021-03-09 CN claimed
WO-2023186881-A1 P38 MAP KINASE INHIBITORS FOR USE IN THE TREATMENT OF COLORECTAL CANCER BADEN-WÜRTTEMBERG STIFTUNG GGMBH (DE) 2023-10-05 WO disclosed
CN-112457153-B Industrial preparation method of 2,4, 5-trifluoro-phenylacetic acid 台州臻挚生物科技有限公司 2022-09-09 CN disclosed
CN-112457153-A Industrial preparation method of 2,4, 5-trifluoro-phenylacetic acid 杭州臻挚生物科技有限公司 2021-03-09 CN disclosed
WO-2001055138-A1 AZOLE DERIVATIVES, THEIR PREPARATION AND USE SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed