SCHEMBL27435774

SCHEMBL27435774

O=C(O)CCCCCCCCCCCCCCCC1(Cl)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
LMNA P02545 3/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
GPR84 Q9NQS5 8/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 6/20 0.40
PPARD Q03181 6/20 0.40
PPARA Q07869 6/20 0.40
HDAC11 Q96DB2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL27434694 1.00 TSHR (0.48) TSHRLMNANFKB1PMP22GPR84
SCHEMBL27413718 1.00 TSHR (0.48) TSHRLMNANFKB1PMP22GPR84
SCHEMBL27476446 1.00 TSHR (0.48) TSHRLMNANFKB1PMP22GPR84
SCHEMBL27476444 1.00 TSHR (0.48) TSHRLMNANFKB1PMP22GPR84
SCHEMBL27554015 0.83 CYP2C19 (0.41) TSHRLMNANFKB1PMP22CYP1A2
SCHEMBL9861918 0.82 TSHR (0.50) TSHRLMNANFKB1PMP22GPR84
SCHEMBL251273 0.78 CYP2C19 (0.53) TSHRLMNANFKB1PMP22GPR84
SCHEMBL7153147 0.78 CYP2C19 (0.53) TSHRLMNANFKB1PMP22GPR84
SCHEMBL251179 0.78 CYP2C19 (0.53) TSHRLMNANFKB1PMP22GPR84
SCHEMBL278034 0.78 CYP2C19 (0.53) TSHRLMNANFKB1PMP22GPR84

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
CN-1105558-C 2,2-dichloroalkane carboxylic acids, process for preparing the same, medicament containing the same and use for treating insulin resistance ROCHE DIAGNOSTICS GMBH (DE) 2003-04-16 CN disclosed
CN-1171050-A 2, 2-Dichloroalkanecarboxylic acids, method for the production thereof, medicaments containing the same and use thereof for the treatment of insulin resistance BOEHRINGER MANNHEIM GMBH (DE) 1998-01-21 CN disclosed