SCHEMBL31060682

SCHEMBL31060682

O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 1.00
HPGD P15428 1/20 0.74
CYP3A4 P08684 2/20 0.71
LMNA P02545 1/20 0.71
HTT P42858 1/20 0.71
MMP13 P45452 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
EPHX2 P34913 4/20 0.61
PPARG P37231 4/20 0.61
PPARA Q07869 4/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
LTA4H P09960 1/20 0.60
LSS P48449 1/20 0.60
MAOA P21397 1/20 0.58
NR1H4 Q96RI1 1/20 0.57
PPARD Q03181 1/20 0.57

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
SCHEMBL2634030 0.87 MAPK14 (0.76) MAPK14LMNAEPHX2PPARGPPARA
SCHEMBL11979758 0.87 MAPK14 (0.76) MAPK14HPGDLMNAMMP13EPHX2
SCHEMBL5709300 0.87 HPGD (0.84) MAPK14HPGDCYP3A4LMNAHTT
SCHEMBL8738317 0.87 HPGD (0.97) MAPK14HPGDCYP3A4LMNAHTT
SCHEMBL6257688 0.86 MAPK14 (0.84) MAPK14HPGDCYP3A4LMNAHTT
SCHEMBL4615722 0.85 MAPK14 (0.74) MAPK14HPGDSMN1; SMN2EPHX2PPARG
SCHEMBL2471470 0.84 MAPK14 (0.71) MAPK14HPGDCYP3A4LMNAHTT
SCHEMBL6141262 0.83 HPGD (0.78) MAPK14HPGDCYP3A4LMNAHTT
SCHEMBL27600905 0.83 HPGD (0.78) MAPK14HPGDCYP3A4LMNAHTT
SCHEMBL31061058 0.83 MAPK14 (1.00) MAPK14HPGDCYP3A4LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed