SCHEMBL30367666

SCHEMBL30367666

C=CO.CCCC/C(=C/C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
KDM4E B2RXH2 1/20 0.42
APEX1 P27695 1/20 0.39
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
ALDH1A1 P00352 3/20 0.35
AKR1B1 P15121 1/20 0.35
TP53 P04637 1/20 0.35
GPR84 Q9NQS5 7/20 0.34
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
HDAC11 Q96DB2 5/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
PTPN1 P18031 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
MEN1 O00255 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
SCHEMBL147035 0.92 TSHR (0.48) TSHRKDM4EAPEX1CES1CES2
SCHEMBL554213 0.92 TSHR (0.48) TSHRKDM4EAPEX1CES1CES2
SCHEMBL147034 0.92 TSHR (0.48) TSHRKDM4EAPEX1CES1CES2
Water SCHEMBL28135417 0.90 TSHR (0.46) TSHRKDM4EAPEX1CES1CES2
Butane SCHEMBL6913001 0.90 TSHR (0.46) TSHRKDM4EAPEX1CES1CES2
SCHEMBL22263597 0.87 APEX1 (0.42) TSHRKDM4EAPEX1CES1CES2
Maleic Acid SCHEMBL31031690 0.86 HCAR2 (0.44) TSHRKDM4EAPEX1CES1CES2
SCHEMBL6914149 0.86 TSHR (0.43) TSHRKDM4EAPEX1CES1CES2
SCHEMBL3415105 0.86 TSHR (0.41) TSHRKDM4EAPEX1CES1CES2
SCHEMBL468339 0.86 AKR1B1 (0.50) TSHRKDM4EAPEX1CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240285490-A1 ECOBIOLOGICAL LIPO-ALCOHOLIC COMPOSITION NAOS INSTITUTE OF LIFE SCIENCE (FR) 2024-08-29 US disclosed
CN-115697283-A Ecological biological fatty alcohol composition 纳欧斯生命科学研究所 2023-02-03 CN disclosed