SCHEMBL28199817

SCHEMBL28199817

CCCCC1(C(=O)OC)CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.67
CYP4A11 Q02928 1/20 0.67
CETP P11597 7/20 0.48
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.35
P2RX7 Q99572 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NAAA Q02083 1/20 0.34
CYP3A4 P08684 1/20 0.34
SLC6A5 Q9Y345 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL11088776 0.98 CYP4F2 (0.69) CYP4F2CYP4A11CETPNPSR1MAPT
SCHEMBL2235513 0.95 CYP4F2 (0.70) CYP4F2CYP4A11CETPNPSR1MAPT
SCHEMBL4944314 0.94 CYP4F2 (0.64) CYP4F2CYP4A11CETPNPSR1MEN1
SCHEMBL3150942 0.93 CYP4F2 (0.72) CYP4F2CYP4A11CETPNPSR1MEN1
SCHEMBL5052685 0.87 CYP4F2 (0.50) CYP4F2CYP4A11CETPCYP2C19MEN1
SCHEMBL23384 0.85 CYP4F2 (0.49) CYP4F2CYP4A11CETPCYP2C19MEN1
SCHEMBL23309175 0.84 CYP4F2 (0.93) CYP4F2CYP4A11CETPNPSR1MAPT
SCHEMBL21399965 0.84 CYP4F2 (0.47) CYP4F2CYP4A11CETPMAPTMEN1
SCHEMBL20807519 0.84 CYP4F2 (0.65) CYP4F2CYP4A11CETPNPSR1MAPT
SCHEMBL14858595 0.84 CYP4F2 (0.65) CYP4F2CYP4A11CETPNPSR1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109789143-A Antiproliferative based on pyrimidine G1治疗公司 2019-05-21 CN disclosed
CN-104940202-B Inhibitors of influenza viruses replication 沃泰克斯药物股份有限公司 2018-10-16 CN disclosed
CN-107936039-A Tricyclic condensed thiophene derivant as JAK inhibitor 因赛特公司 2018-04-20 CN disclosed
CN-104918945-B Tricyclic fused thiophene derivatives as JAK inhibitors 因赛特公司 2018-01-05 CN disclosed