SCHEMBL25547743

SCHEMBL25547743

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
CES2 O00748 5/20 0.47
CES1 P23141 3/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
HDAC1 Q13547 1/20 0.35
EGFR P00533 1/20 0.35
SRD5A2 P31213 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
MLYCD O95822 1/20 0.34

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
SCHEMBL9780335 0.83 CES2 (0.69) MAPTCES2CES1MEN1KMT2A
SCHEMBL14400014 0.81 MAPT (0.55) MAPTCES2CES1MEN1KMT2A
SCHEMBL7631073 0.81 MAPT (0.55) MAPTCES2CES1MEN1KMT2A
SCHEMBL26474236 0.81 TSHR (0.35) MAPTCES2CES1NR4A1NR4A2
SCHEMBL28670034 0.78 MAPT (0.71) MAPTCES2CES1MEN1KMT2A
SCHEMBL13228130 0.75 THRA (0.49) MAPTCES2CES1MEN1KMT2A
SCHEMBL25873039 0.75 ELANE (0.50) MAPTMEN1KMT2ATHRBSMN1; SMN2
SCHEMBL17232307 0.73 NR1I2 (0.40)
SCHEMBL11802097 0.72 CES2 (0.65) MAPTCES2CES1MEN1KMT2A
SCHEMBL2401025 0.70 MAPT (0.61) MAPTCES2CES1MEN1KMT2A

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
US-20230192924-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ELASTOMER AQUEOUS DISPERSION AND FLUORINE-CONTAINING ELASTOMER AQUEOUS DISPERSION DAIKIN INDUSTRIES, LTD. (JP) 2023-06-22 US disclosed
US-20230167212-A1 METHOD FOR PREPARING FLUORINE-CONTAINING ELASTOMER AQUEOUS DISPERSION, AND FLUORINE-CONTAINING ELASTOMER AQUEOUS DISPERSION DAIKIN INDUSTRIES, LTD. (JP) 2023-06-01 US disclosed