SCHEMBL28973007

SCHEMBL28973007

CC1C(OC(=O)C(CCCCCC(=O)O)C2CCN(C)C(C)(C)C2C)CCN(C)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.36
PTGER3 P43115 6/20 0.36
PTGER2 P43116 5/20 0.36
FFAR4 Q5NUL3 1/20 0.32
FFAR1 O14842 1/20 0.32
TSHR P16473 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL28856014 1.00 PTGER4 (0.36) PTGER4PTGER3PTGER2FFAR4FFAR1
SCHEMBL28972984 1.00 PTGER4 (0.36) PTGER4PTGER3PTGER2FFAR4FFAR1
SCHEMBL28886936 0.96 PTGER4 (0.31) PTGER4PTGER3PTGER2
SCHEMBL28293420 0.86 PTGER4 (0.37) PTGER4PTGER3PTGER2FFAR4FFAR1
SCHEMBL28889465 0.85
SCHEMBL8008803 0.81 SMN1; SMN2 (0.38) TSHR
SCHEMBL7760256 0.80 SMN1; SMN2 (0.39) TSHR
SCHEMBL5706208 0.79 FFAR4 (0.35) PTGER4PTGER3PTGER2FFAR4FFAR1
SCHEMBL7195339 0.77 FFAR4 (0.47) PTGER4PTGER3PTGER2FFAR4FFAR1
SCHEMBL28538623 0.77 FFAR4 (0.47) PTGER4PTGER3PTGER2FFAR4FFAR1

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-112204065-B Process for preparing polyisocyanate polymers and polyisocyanurate plastics 科思创知识产权两合公司 2023-03-28 CN disclosed