SCHEMBL11397997

SCHEMBL11397997

O=C(O)CCCCCCCCCCn1nnnc1S

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
PTGIR P43119 4/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
TBXAS1 P24557 3/20 0.38
KDM4E B2RXH2 1/20 0.37
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PNP P00491 1/20 0.35
FOLH1 Q04609 1/20 0.35

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
SCHEMBL11388020 1.00 PTGS1 (0.41) PTGS1PTGS2PTGIRLMNATSHR
SCHEMBL11401238 1.00 PTGS1 (0.41) PTGS1PTGS2PTGIRLMNATSHR
SCHEMBL11388439 1.00 PTGS1 (0.41) PTGS1PTGS2PTGIRLMNATSHR
SCHEMBL828869 0.93 KDM4E (0.42) LMNATSHRKDM4E
SCHEMBL11396114 0.87 CYP1A2 (0.34) TSHR
SCHEMBL11400675 0.87 CYP1A2 (0.34) TSHR
SCHEMBL11388926 0.79 CYP1A2 (0.36) LMNATSHR
Tetrazole SCHEMBL9733152 0.79 KDM4E (0.36) TSHRKDM4E
SCHEMBL10974169 0.78 MAPK1 (0.46) PTGS1PTGS2PTGIRLMNATSHR
SCHEMBL11356709 0.77 CA1 (0.34)

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-4286089-A BACTERICIDES SMITHKLINE CORPORATION (US) 1981-08-25 US disclosed
US-4220644-A BACTERICIDES SMITHKLINE CORPORATION (US) 1980-09-02 US disclosed