SCHEMBL11446809

SCHEMBL11446809

CC(O)CCc1ccc(C(=O)c2cccs2)n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C9 P11712 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGDS O60760 1/20 0.39
BDKRB2 P30411 2/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PGR P06401 1/20 0.37
CES2 O00748 1/20 0.37

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
SCHEMBL11457351 0.84 HPGD (0.39) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL11446810 0.81 BDKRB2 (0.43) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL11370074 0.80 HPGD (0.39) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL11809650 0.80 CXCL8 (0.43) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL17486805 0.78 BDKRB2 (0.49) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7684987 0.78 PTGS1 (0.57) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL11814111 0.76 ALDH1A1 (0.47) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7674645 0.76 PGR (0.46) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL11448426 0.76 CXCL8 (0.62) HPGDALDH1A1LMNAKDM4EPTGS1
SCHEMBL17486809 0.75 BDKRB2 (0.47) HPGDALDH1A1RAB9ANPC1SMN1; SMN2

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-4200645-A ANTIINFLAMMATORY BEECHAM GROUP LIMITED (GB) 1980-04-29 US claimed
US-4200645-A ANTIINFLAMMATORY BEECHAM GROUP LIMITED (GB) 1980-04-29 US disclosed