SCHEMBL21543980

SCHEMBL21543980

CC(=O)C(C)C(=O)O.CCCCO[Ti](OCCCC)OCCCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
FAAH O00519 1/20 0.34
KMT2A Q03164 1/20 0.34
ACE2 Q9BYF1 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
CA2 P00918 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
Acetic Acid SCHEMBL6871026 0.82 ALDH1A1 (0.50) ALDH1A1HPGDTSHRHCAR2ATM
SCHEMBL21544059 0.82 ALDH1A1 (0.39) ALDH1A1PPARGPPARAHPGDTSHR
Methacrylic Acid SCHEMBL6297800 0.76 TSHR (0.44) ALDH1A1HPGDTSHRHCAR2ATM
Butyl Alcohol SCHEMBL28307384 0.75 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL28804439 0.73 CA2 (0.38) MAPK1ACE2CA2SMN1; SMN2
SCHEMBL434452 0.73 ADRB2 (0.45) ALDH1A1HPGDTSHRATMCA2
SCHEMBL5271134 0.72 CA2 (0.36) MAPK1ACE2CA2
SCHEMBL3108668 0.71 ALDH1A1 (0.52) ALDH1A1HPGDTSHRMAPK1HCAR2
SCHEMBL10595821 0.71 ALDH1A1 (0.58) ALDH1A1HPGDTSHRMAPK1FAAH
Bromide SCHEMBL11242147 0.71 ADRB2 (0.43) ALDH1A1HPGDTSHRATMCA2

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-10886072-B2 Method for producing photoelectric conversion element SHARP KABUSHIKI KAISHA (JP) 2021-01-05 US disclosed
US-20190348226-A1 METHOD FOR PRODUCING PHOTOELECTRIC CONVERSION ELEMENT SHARP KABUSHIKI KAISHA (JP) 2019-11-14 US disclosed