SCHEMBL28099112

SCHEMBL28099112

C=CCOC(=O)OCCCCC.COC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
HCAR2 Q8TDS4 3/20 0.44
HPGD P15428 1/20 0.43
EPHX1 P07099 1/20 0.42
PLA2G2C Q5R387 1/20 0.42
NAAA Q02083 1/20 0.41
FAAH O00519 1/20 0.38
ATM Q13315 1/20 0.38
ACHE P22303 4/20 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
SCHEMBL9245159 0.92 TSHR (0.58) TSHRHCAR2HPGDEPHX1PLA2G2C
SCHEMBL309590 0.92 TSHR (0.58) TSHRHCAR2HPGDEPHX1PLA2G2C
Ammonia Solution, Strong SCHEMBL18921479 0.90 TSHR (0.56) TSHRHCAR2HPGDEPHX1PLA2G2C
SCHEMBL10948447 0.90 TSHR (0.61) TSHRHCAR2HPGDEPHX1PLA2G2C
SCHEMBL28747016 0.90 TSHR (0.56) TSHRHCAR2HPGDEPHX1PLA2G2C
SCHEMBL9309801 0.86 TSHR (0.56) TSHRHCAR2HPGDEPHX1PLA2G2C
SCHEMBL7267486 0.86 TSHR (0.57) TSHRHCAR2HPGDEPHX1PLA2G2C
Ether SCHEMBL7074006 0.85 TSHR (0.51) TSHRHCAR2HPGDEPHX1PLA2G2C
SCHEMBL2023648 0.82 TSHR (0.48) TSHRHPGDPLA2G2CATM
SCHEMBL27511590 0.81 EPHX1 (0.52) TSHRHCAR2EPHX1NAAAFAAH

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-105960389-A Method for producing carbonates 沙特基础工业全球技术有限公司 2016-09-21 CN disclosed