SCHEMBL13077342

SCHEMBL13077342

CC1C=CC(C)C(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GABRR1 P24046 5/20 0.37
GRM2 Q14416 4/20 0.36
GRM3 Q14832 3/20 0.33
FFAR1 O14842 2/20 0.33
GABRR2 P28476 1/20 0.32
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
GRM8 O00222 1/20 0.30
GRM6 O15303 1/20 0.30
APEX1 P27695 1/20 0.30
GRM5 P41594 1/20 0.30
PMP22 Q01453 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM4 Q14833 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL2774728 0.82 POLB (0.36) POLBTDP1CTDSP1
SCHEMBL4422295 0.80 POLB (0.44) POLBTDP1CTDSP1LMNAALDH1A1
SCHEMBL284782 0.80 GABRR1 (0.36) POLBTDP1CTDSP1LMNAALDH1A1
SCHEMBL4422298 0.80 POLB (0.44) POLBTDP1CTDSP1LMNAALDH1A1
SCHEMBL27438497 0.80 POLB (0.44) POLBTDP1CTDSP1LMNAALDH1A1
SCHEMBL27825601 0.78 GABRR1 (0.34) POLBTDP1CTDSP1LMNAALDH1A1
SCHEMBL19604954 0.78 GABRR1 (0.34) POLBTDP1CTDSP1LMNAALDH1A1
SCHEMBL2773116 0.78 POLB (0.34) POLBTDP1CTDSP1
SCHEMBL2773113 0.78 POLB (0.34) POLBTDP1CTDSP1
Hydrochloric Acid SCHEMBL9659824 0.77 GABRR1 (0.43) POLBTDP1CTDSP1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9764038-B2 Enzymatic conjugation of antibodies INNATE PHARMA (FR) 2017-09-19 US disclosed
US-9660277-B2 Methods for inhibiting corrosion in brazed metal surfaces and coolants and additives for use therein PRESTONE PRODUCTS CORPORATION (US) 2017-05-23 US disclosed
US-20100276629-A1 METHOD FOR STABILIZING AN ENGINE COOLANT CONCENTRATE AND PREVENTING HARD WATER SALT FORMATION UPON DILUTION FRAM GROUP IP LLC 2010-11-04 US disclosed
US-20100196773-A1 METHODS FOR INHIBITING CORROSION IN BRAZED METAL SURFACES AND COOLANTS AND ADDITIVES FOR USE THEREIN HONEYWELL INTERNATIONAL INC. (US) 2010-08-05 US disclosed
US-7754097-B2 Method for stabilizing an engine coolant concentrate and preventing hard water salt formation upon dilution HONEYWELL INTERNATIONAL INC. (US) 2010-07-13 US disclosed
US-20070075120-A1 Methods for inhibiting corrosion in brazed metal surfaces and coolants and additives for use therein GOLDMAN SACHS MIDDLE MARKET LENDING CORP. II 2007-04-05 US disclosed
US-20070034826-A1 making stabilized concentrate by adding to coolant concentrate at least one stabilizer selected from polyacrylate polymers, concentrate comprising 90 or more wt % freezing point depressant, then diluting stabilized coolant concentrate with hard water to provide final coolant composition PRESTONE PRODUCTS CORPORATION (US) 2007-02-15 US disclosed