SCHEMBL24383545

SCHEMBL24383545

C=Cc1ccc(OCC(C)(O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA7 P36544 2/20 0.43
CHRNA4 P43681 2/20 0.43
ALDH1A1 P00352 2/20 0.35
PPARA Q07869 3/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A1 P04798 2/20 0.33
CYP1B1 Q16678 2/20 0.33
MAOB P27338 1/20 0.33
NQO2 P16083 1/20 0.32

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
SCHEMBL18561113 0.85 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18561112 0.84 CHRNA7 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27765705 0.83 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL25560116 0.82 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL25560293 0.82 TDP1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2CYP17A1
SCHEMBL24352851 0.80 WDR5 (0.42) PPARANPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL24352742 0.80 WDR5 (0.42) PPARANPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL2998505 0.79 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL887953 0.79 CHRNA7 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17829482 0.79 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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
US-12036025-B2 Bio-electrode, method for manufacturing bio-electrode, and method for measuring biological signal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-20240215890-A1 Bio-Electrode, Bio-Electrode Composition, And Method For Manufacturing Bio-Electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-20240215891-A1 Bio-Electrode Composition, Bio-Electrode, And Method For Manufacturing Bio-Electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-11783958-B2 Conductive wiring material composition, conductive wiring substrate and method for producing conductive wiring substrate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-10 US disclosed
US-20230159766-A1 CONDUCTIVE POLYMER COMPOSITION, SUBSTRATE, AND METHOD FOR PRODUCING SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
EP-3693979-B1 CONDUCTIVE POLYMER COMPOSITE AND CONDUCTIVE POLYMER COMPOSITION SHINETSU CHEMICAL CO (JP) 2022-05-04 EP disclosed