SCHEMBL841444

SCHEMBL841444

CC(S)c1cc(C=O)ccn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.35
ALDH1A1 P00352 8/20 0.32
ALDH1A3 P47895 1/20 0.32
TSHR P16473 1/20 0.32
FDPS P14324 1/20 0.32
KDM4E B2RXH2 2/20 0.31
PTGS2 P35354 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
CYP2A6 P11509 2/20 0.31
AOX1 Q06278 1/20 0.30
TRIM24 O15164 1/20 0.30
HPGD P15428 1/20 0.30
ALDH5A1 P51649 1/20 0.30
ABAT P80404 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7427768 0.85 TYR (0.42) TYRALDH1A1ALDH1A3TSHRFDPS
SCHEMBL2560561 0.81 TYR (0.35) TYRALDH1A1ALDH1A3TSHRFDPS
SCHEMBL2554581 0.81 TYR (0.35) TYRALDH1A1ALDH1A3TSHRFDPS
SCHEMBL2554013 0.79 TYR (0.33) TYRALDH1A1ALDH1A3TSHRFDPS
SCHEMBL15329686 0.79 TYR (0.33) TYRALDH1A1ALDH1A3TSHRFDPS
SCHEMBL15994039 0.76 ALDH1A1 (0.39) ALDH1A1TSHRFDPSKDM4ERAB9A
SCHEMBL2560556 0.74 ALDH1A1 (0.35) ALDH1A1ALDH1A3TSHRFDPS
SCHEMBL15329693 0.74 ALDH1A1 (0.35) ALDH1A1ALDH1A3TSHRFDPS
SCHEMBL31191175 0.73 ALDH1A1 (0.32) ALDH1A1ALDH1A3TSHR
SCHEMBL18519477 0.72 UHRF1 (0.48) ALDH1A1FDPSKDM4EMAPTCYP2A6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143456-B2 Method of reducing methanol in recycle streams in bisphenol-A production process DOW GLOBAL TECHNOLOGIES LLC (US) 2012-03-27 US disclosed
US-20110137087-A1 METHOD OF REDUCING METHANOL IN RECYCLE STREAMS IN BISPHENOL-A PRODUCTION PROCESS BLUE CUBE IP LLC 2011-06-09 US disclosed
EP-2197824-A2 METHOD OF REDUCING METHANOL IN RECYCLE STREAMS IN BISPHENOL-A-PRODUCTION PROCESS Dow Global Technologies Inc. (US) 2010-06-23 EP disclosed
WO-2009032552-A2 METHOD OF REDUCING METHANOL IN RECYCLE STREAMS IN BISPHENOL-A-PRODUCTION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-03-12 WO disclosed