SCHEMBL29115702

SCHEMBL29115702

[CH]=CCCCCCCCC(CCCCC=C)OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 4/20 0.36
MAPT P10636 3/20 0.36
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.31
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 1/20 0.31
ABCC4 O15439 1/20 0.31

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
SCHEMBL15027452 0.90 TSHR (0.46) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL18533162 0.88 TSHR (0.42) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL29125147 0.83 LPAR3 (0.35) TSHRRECQLLPAR3LPAR2
SCHEMBL22207167 0.83 TSHR (0.40) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL24848141 0.81 TSHR (0.46) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL27002999 0.79 TSHR (0.35) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL3116638 0.79 USP2 (0.41) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL1454649 0.79 TSHR (0.38) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL30264579 0.79 TSHR (0.43) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL22207150 0.77 PRKD3 (0.35) LMNALPAR3LPAR2

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
CN-116964122-A Polyurea copolymers 巴斯夫欧洲公司 2023-10-27 CN disclosed