SCHEMBL30901546

SCHEMBL30901546

CCCCCC1=C(CCCCC)CC(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.52
POLB P06746 1/20 0.40
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 3/20 0.40
S1PR4 O95977 2/20 0.40
S1PR5 Q9H228 2/20 0.40
ALDH1A1 P00352 3/20 0.39
GPR84 Q9NQS5 2/20 0.39
TSHR P16473 1/20 0.39
HCAR2 Q8TDS4 2/20 0.38
HCAR3 P49019 1/20 0.38
AKR1B1 P15121 1/20 0.37
TP53 P04637 1/20 0.37
PLA2G1B P04054 3/20 0.37
ATG4B Q9Y4P1 3/20 0.37
RARB P10826 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL30901562 0.98 SCD (0.55) SCDPOLBS1PR1S1PR3S1PR4
SCHEMBL30901575 0.98 SCD (0.55) SCDPOLBS1PR1S1PR3S1PR4
SCHEMBL30745654 0.94 SCD (0.44) SCDPOLBS1PR1S1PR3S1PR4
SCHEMBL30745653 0.85 KMT2A (0.38) SCDPOLBALDH1A1TSHRHCAR2
SCHEMBL28134299 0.79 SCD (0.43) SCDPOLBS1PR1S1PR3S1PR4
SCHEMBL30901522 0.78 ALDH1A1 (0.36) SCDPOLBS1PR1S1PR3S1PR4
SCHEMBL30745650 0.76 GAA (0.37) POLBALDH1A1TSHR
SCHEMBL30901598 0.76 ABCC4 (0.41) POLBALDH1A1
SCHEMBL30901564 0.73 ABCC4 (0.38) POLBALDH1A1
SCHEMBL30901591 0.73 MAPT (0.39) POLBALDH1A1TP53

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 3 patents. 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
CN-118108888-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-118108888-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed