SCHEMBL9752653

SCHEMBL9752653

C=CCCCC(OOC(CCCC=C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.31
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL9752434 0.86 TSHR (0.32) TSHR
SCHEMBL9752483 0.82 TSHR (0.38) TSHRALDH1A1
SCHEMBL9752473 0.72 CYP3A4 (0.32) TSHRCYP3A4
SCHEMBL1982082 0.72 DNM1 (0.36) TSHRALDH1A1LMNACYP3A4SMN1; SMN2
Ammonia Solution, Strong SCHEMBL3119315 0.71 TSHR (0.39) TSHRALDH1A1
SCHEMBL9737608 0.71 TSHR (0.39) TSHRALDH1A1
SCHEMBL8441962 0.71 TSHR (0.34) TSHRALDH1A1
SCHEMBL9752690 0.68 TSHR (0.33) TSHRALDH1A1
SCHEMBL3119319 0.68 TSHR (0.36) TSHRALDH1A1
SCHEMBL3112090 0.68 TSHR (0.36) TSHRALDH1A1

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
WO-1991000300-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES AKZO N.V. (NL) 1991-01-10 WO disclosed