SCHEMBL7073967

SCHEMBL7073967

C=CCN(CC=C)c1ccc(C=C(C(=O)C(F)(F)F)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.42
TSHR P16473 1/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
AKR1C2 P52895 2/20 0.38
AKR1C3 P42330 1/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PTGS2 P35354 1/20 0.37
RAB9A P51151 1/20 0.36
ESR1 P03372 1/20 0.36
TRPA1 O75762 1/20 0.36
ESRRG P62508 1/20 0.36

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
SCHEMBL589209 0.80 AKR1C1 (0.63) AKR1C1KMT2AALDH1A1MAPTLMNA
SCHEMBL6933532 0.76 AKR1C1 (0.50) AKR1C1KMT2AALDH1A1MAPTLMNA
SCHEMBL19040948 0.76 TSHR (0.38) TSHRKMT2AALDH1A1MEN1KDM4E
SCHEMBL1521415 0.74 RAB9A (0.58) TSHRKMT2AALDH1A1MAPTLMNA
SCHEMBL6250582 0.74 CYP19A1 (0.53) AKR1C1KMT2AALDH1A1MAPTLMNA
SCHEMBL6250579 0.74 CYP19A1 (0.53) AKR1C1KMT2AALDH1A1MAPTLMNA
SCHEMBL14163953 0.73 AKR1C1 (0.71) AKR1C1KMT2AALDH1A1MAPTLMNA
SCHEMBL2521367 0.70 MEN1 (0.59) TSHRKMT2AALDH1A1LMNAMEN1
SCHEMBL10886298 0.69 RELA (0.57) TSHRKMT2AALDH1A1MAPTMEN1
SCHEMBL2962954 0.69 CES1 (0.50) AKR1C1TSHRKMT2AALDH1A1MAPT

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
EP-0953150-B1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE EIDGENOESSISCHE TECH HOCHSCHULE ZUERICH (CH) 2003-01-15 EP disclosed
EP-0953150-A1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE Eidgenössische Technische Hochschule Zürich (CH) 1999-11-03 EP disclosed
WO-1998030892-A1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE Eidgenössische Technische Hochschule Zürich (CH) 1998-07-16 WO disclosed