SCHEMBL8945728

SCHEMBL8945728

O=C(O)C(Br)(CBr)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 2/20 0.43
CYP2C19 P33261 1/20 0.43
PTPN1 P18031 2/20 0.43
GSK3B P49841 2/20 0.43
CYP2D6 P10635 1/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KCNN4 O15554 1/20 0.39
CYP2C9 P11712 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL262672 0.79 CYP2C19 (0.47) CYP1A2ALDH1A1TSHRHIF1ACYP2C19
SCHEMBL27486487 0.79 CYP1A2 (0.46) CYP1A2ALDH1A1TSHRHIF1ACYP2C19
SCHEMBL10683962 0.79 CYP1A2 (0.46) CYP1A2ALDH1A1TSHRHIF1ACYP2C19
SCHEMBL7955541 0.79 CYP1A2 (0.52) CYP1A2ALDH1A1TSHRHIF1ACYP2C19
SCHEMBL28542144 0.77 KCNN4 (0.60) ALDH1A1TSHRHIF1ACYP2C19MAPT
SCHEMBL27435020 0.76 CYP2C19 (0.45) CYP1A2ALDH1A1TSHRHIF1ACYP2C19
SCHEMBL27420149 0.76 CYP2C19 (0.48) CYP1A2ALDH1A1TSHRHIF1ACYP2C19
Hydrochloric Acid SCHEMBL2395810 0.74 OPRM1 (0.42) CYP1A2ALDH1A1TSHRHIF1ACYP2C19
SCHEMBL5325708 0.74 ALDH1A1 (0.67) CYP1A2ALDH1A1TSHRHIF1ACYP2C19
SCHEMBL6478875 0.73 KIF11 (0.48) CYP1A2ALDH1A1TSHRHIF1ACYP2C19

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-5580702-A COMPRISING A PHOTOSENSITIVE ACID-GENERATING COMPOUND AND A COPOLYMER OF P-HYDROXYSTYRENE AND AN ESTER OF P-CARBOXYMETHOXYSTYRENE; NONTOXIC; STEEP WALLS; HIGH SPEED; SEMICONDUCTORS KABUSHIKI KAISHA TOSHIBA (JP) 1996-12-03 US disclosed
US-5403695-A Photolithography; high resolution; semiconductors KABUSHIKI KAISHA TOSHIBA (JP) 1995-04-04 US disclosed