SCHEMBL29178554

SCHEMBL29178554

C=C(CCCCC)C(=O)OCOCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
DGKA P23743 1/20 0.41
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
FAAH O00519 3/20 0.40
THRB P10828 1/20 0.39
AKR1B1 P15121 1/20 0.39
PAM P19021 2/20 0.38
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
GPR84 Q9NQS5 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
TLR2 O60603 1/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL17891310 0.90 TSHR (0.46) TSHRDGKACES2CES1AKR1B1
SCHEMBL374969 0.86 FAAH (0.51) TSHRDGKACES2CES1FAAH
SCHEMBL26927499 0.86 TSHR (0.41) TSHRDGKACES2CES1FAAH
SCHEMBL26927495 0.85 TSHR (0.44) TSHRDGKACES2CES1PAM
SCHEMBL26927582 0.85 TSHR (0.44) TSHRDGKACES2CES1PAM
SCHEMBL351663 0.85 TSHR (0.53) TSHRDGKACES2CES1FAAH
SCHEMBL3504005 0.85 FAAH (0.54) TSHRDGKACES2CES1FAAH
SCHEMBL375675 0.85 FAAH (0.54) TSHRDGKACES2CES1FAAH
SCHEMBL375026 0.85 FAAH (0.54) TSHRDGKACES2CES1FAAH
SCHEMBL374914 0.85 FAAH (0.54) TSHRDGKACES2CES1FAAH

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-117561385-A Transmission belt 戴科欧洲有限公司 2024-02-13 CN disclosed