SCHEMBL9959896

SCHEMBL9959896

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

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 1/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 3/20 0.37
CYP2D6 P10635 2/20 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
MAPT P10636 1/20 0.35
CETP P11597 1/20 0.35
HTT P42858 1/20 0.35
UBE2N P61088 1/20 0.35
CA2 P00918 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
SCHEMBL8769554 0.89 GPR84 (0.43) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL24435891 0.78 TSHR (0.50) TSHRLMNA
SCHEMBL8368030 0.77 GPR84 (0.43) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL4889325 0.75 CA2 (0.36) TSHRLMNACA2
SCHEMBL20298390 0.75 SPHK1 (0.46) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL21552166 0.75 GPR84 (0.46) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL16485920 0.75 SPHK1 (0.46) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL21551886 0.75 GPR84 (0.46) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL7548100 0.75 SPHK1 (0.52) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL21536755 0.74 ALDH1A1 (0.37) TSHRLMNACYP3A4CA2

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
EP-2654665-A2 METHOD FOR DEVELOPING A LIQUID COMPOSITION TO BE APPLIED TO THE SKIN AS A FOAM AND A COMPOSITION THAT CAN BE APPLIED TOPICALLY MIKA Pharma Gesellschaft für die Entwicklung und Vermarktung pharmazeutischer Produkte mbH (DE) 2013-10-30 EP disclosed
WO-2012083906-A2 METHOD FOR DEVELOPING A LIQUID COMPOSITION TO BE APPLIED TO THE SKIN AS A FOAM AND A COMPOSITION THAT CAN BE APPLIED TOPICALLY MIKA PHARMA GESELLSCHAFT FÜR DIE ENTWICKLUNG UND VERMARKTUNG PHARMAZEUTISCHER PRODUKTE MBH (DE) 2012-06-28 WO disclosed