SCHEMBL27463510

SCHEMBL27463510

CCCCCC(O)N(CC)C(O)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.38
SPHK1 Q9NYA1 2/20 0.38
FFAR1 O14842 2/20 0.38
LMNA P02545 2/20 0.37
CYP2D6 P10635 2/20 0.35
MAPT P10636 2/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CETP P11597 1/20 0.35
HTT P42858 1/20 0.35
UBE2N P61088 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
SCHEMBL465359 0.93 GPR84 (0.41) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL465470 0.86 ALDH1A1 (0.37) GPR84SPHK1FFAR1LMNAFDPS
SCHEMBL5052254 0.84 LMNA (0.34) LMNA
SCHEMBL465304 0.81 TSHR (0.39)
SCHEMBL9949490 0.78 ALDH1A1 (0.37) CYP3A4FDPS
SCHEMBL465302 0.77 GPR84 (0.40) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL16105080 0.77 GPR84 (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL9950186 0.77 ALDH1A1 (0.35) CYP3A4FDPS
SCHEMBL9949184 0.77 ALDH1A1 (0.35) SPHK1
SCHEMBL465377 0.76 TSHR (0.33) LMNACYP3A4FDPS

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
CN-1157248-C Absorbent compositions for the removal of acid gases from the gas streams 联合碳化物化学和塑料技术公司 2004-07-14 CN disclosed
CN-1349427-A Absorbent compositions for the removal of acid gases from the gas streams UNION CARBIDE CHEM PLASTIC (US) 2002-05-15 CN disclosed