SCHEMBL30901540

SCHEMBL30901540

C=CCCCCCOC(=O)C(CC=C)(CCC)C(=O)OCCCCCC=C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.39
ALDH1A1 P00352 4/20 0.38
LPAR3 Q9UBY5 2/20 0.38
LMNA P02545 2/20 0.38
LPAR2 Q9HBW0 1/20 0.38
HPGD P15428 2/20 0.37
PLA2G2C Q5R387 1/20 0.36
HCAR2 Q8TDS4 2/20 0.36
CYP3A4 P08684 3/20 0.36
MAPT P10636 3/20 0.35
ABCC4 O15439 1/20 0.35
ATM Q13315 1/20 0.35
USP2 O75604 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
NAAA Q02083 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL29220156 0.98 TSHR (0.38) TSHRALDH1A1LPAR3LMNALPAR2
SCHEMBL29220386 0.94 TSHR (0.39) TSHRALDH1A1LMNAHPGDPLA2G2C
SCHEMBL29220160 0.92 HCAR2 (0.36) TSHRALDH1A1LPAR3LMNALPAR2
SCHEMBL29220236 0.91 TSHR (0.44) TSHRALDH1A1LMNAHPGDPLA2G2C
SCHEMBL29220186 0.91 TSHR (0.44) TSHRALDH1A1LMNAHPGDPLA2G2C
SCHEMBL28549306 0.89 TSHR (0.43) TSHRALDH1A1LMNAHPGDPLA2G2C
SCHEMBL28248189 0.88 TSHR (0.49) TSHRALDH1A1LMNAHPGDHCAR2
SCHEMBL29220391 0.87 TSHR (0.36) TSHRALDH1A1LMNAHPGDPLA2G2C
SCHEMBL28562838 0.84 TSHR (0.35) TSHRALDH1A1LMNAHPGDHCAR2
SCHEMBL30901524 0.83 TSHR (0.36) TSHRALDH1A1HPGDPLA2G2CCYP3A4

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-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed