SCHEMBL6909580

SCHEMBL6909580

COC(CCl)C(OC)(OC)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
CES1 P23141 1/20 0.33
KCNN4 O15554 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ALOX15 P16050 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 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
SCHEMBL27579575 0.81 MAPK1 (0.33) MAPK1CES1KCNN4ALDH1A1TAAR1
SCHEMBL6554389 0.72 MAPK1 (0.38) MAPK1CES1KCNN4TSHRALDH1A1
SCHEMBL10512565 0.71 CES1 (0.40) MAPK1CES1KCNN4ALDH1A1ALOX15
SCHEMBL151772 0.71 KCNN4 (0.37) MAPK1CES1KCNN4TSHRALDH1A1
SCHEMBL10800116 0.70 CES1 (0.42) MAPK1CES1KCNN4ALDH1A1ALOX15
SCHEMBL17183621 0.70 MAPK1 (0.39) MAPK1CES1KCNN4TSHRALDH1A1
SCHEMBL728479 0.69 MMP13 (0.32) CES1ALDH1A1GAAMEN1KMT2A
SCHEMBL10881161 0.68 MAPK1 (0.38) MAPK1CES1KCNN4TSHRALDH1A1
SCHEMBL10880227 0.68 ALDH1A1 (0.37) MAPK1CES1KCNN4TSHRALDH1A1
SCHEMBL730254 0.67 FOLH1 (0.33) ALDH1A1GAAMEN1KMT2A

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-6743303-B2 CONTACTING METAL SURFACE WITH ADHESION PROMOTION FORMULATION COMPRISING SULFURIC ACID AND PHOSPHORIC ACID TO FORM A MICRO-ROUGHENED CONVERSION COATED METAL SURFACE, CONTACTING WITH AQUEOUS ORGANOSILICON FORMULATION SHIPLEY COMPANY, L.L.C. 2004-06-01 US disclosed
US-20020132056-A1 Contacting metal surface with adhesion promotion formulation comprising sulfuric acid and phosphoric acid to form a micro-roughened conversion coated metal surface, contacting with aqueous organosilicon formulation SHIPLEY COMPANY, L.L.C. (US) 2002-09-19 US disclosed