SCHEMBL22497560

SCHEMBL22497560

CCCc1cc(-c2ccccc2)c(O)c(O)c1CCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.41
LTB4R2 Q9NPC1 4/20 0.41
BACE1 P56817 2/20 0.39
LDHA P00338 2/20 0.39
LDHB P07195 2/20 0.39
PTPN1 P18031 3/20 0.37
PTPN2 P17706 1/20 0.37
PTPN6 P29350 1/20 0.37
PDE4B Q07343 1/20 0.37
PPARG P37231 2/20 0.36
ALOX5 P09917 1/20 0.36
PPARA Q07869 1/20 0.36
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL28700316 0.86 BACE1 (0.42) LTB4RLTB4R2BACE1PTPN1PTPN2
SCHEMBL7039237 0.82 BACE1 (0.45) LTB4RLTB4R2BACE1PTPN1PTPN2
SCHEMBL8674512 0.81 KDM4E (0.39) LTB4RLTB4R2BACE1PPARGKDM4E
SCHEMBL2879317 0.78 BACE1 (0.50) LTB4RLTB4R2BACE1PTPN1PTPN2
SCHEMBL2862503 0.78 BACE1 (0.50) BACE1PTPN1PTPN2PTPN6PDE4B
SCHEMBL28424365 0.78 PDE4B (0.42) LTB4RLTB4R2BACE1PTPN1PTPN2
SCHEMBL27981643 0.77 ELANE (0.49) BACE1ALOX5ESR2ALDH1A1HPGD
SCHEMBL27940515 0.77 PDE4B (0.39) LTB4RLTB4R2BACE1PDE4B
SCHEMBL7759154 0.77 PTPN1 (0.35) LTB4RLTB4R2BACE1LDHALDHB
SCHEMBL28689603 0.77 HDAC4 (0.48) BACE1PTPN1PTPN2PTPN6PDE4B

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
WO-2020200194-A1 MICRONEEDLE DEVICE AND METHOD FOR MANUFACTURING SAME 宝龄富锦生技股份有限公司 2020-10-08 WO disclosed