SCHEMBL10699352

SCHEMBL10699352

C=CCC(CCO)(CCCC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
ALDH1A1 P00352 2/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
FAAH O00519 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 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
SCHEMBL2143058 0.89 TSHR (0.39) TSHRALDH1A1ZDHHC20ZDHHC2FAAH
SCHEMBL7536200 0.86 TSHR (0.37) TSHRALDH1A1ZDHHC20ZDHHC2CYP4F2
SCHEMBL28966830 0.86 ZDHHC20 (0.42) TSHRALDH1A1ZDHHC20ZDHHC2FAAH
SCHEMBL11415107 0.83 CYP4F2 (0.35) TSHRALDH1A1CYP4F2CYP4A11
SCHEMBL11415097 0.83 ALDH1A1 (0.38) TSHRALDH1A1CYP4F2CYP4A11
SCHEMBL16414305 0.82 ZDHHC20 (0.42) TSHRALDH1A1ZDHHC20ZDHHC2FAAH
SCHEMBL2143415 0.82 ZDHHC20 (0.42) TSHRALDH1A1ZDHHC20ZDHHC2FAAH
SCHEMBL1703002 0.82 ZDHHC20 (0.42) TSHRALDH1A1ZDHHC20ZDHHC2FAAH
SCHEMBL11423751 0.80 SMN1; SMN2 (0.44) TSHRALDH1A1CYP4F2CYP4A11
SCHEMBL17451110 0.80 CYP4F2 (0.43) TSHRALDH1A1CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4772658-A ADDITION POLYMERIZATION, POLYISOCYANATE-UNSATURATED ALCOHOL ADDUCT, POLYURETHANES, MOLDINGS THE DOW CHEMICAL COMPANY (US) 1988-09-20 US disclosed