SCHEMBL11089953

SCHEMBL11089953

CCCCOC(=O)NCc1cc(NC(=O)OCCCC)ccc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.67
NPC1 O15118 9/20 0.67
SMN1; SMN2 Q16637 8/20 0.67
HPGD P15428 7/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
LMNA P02545 1/20 0.54
MAPT P10636 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CASP1 P29466 1/20 0.53
MAPK1 P28482 1/20 0.53
MCL1 Q07820 1/20 0.53
TSHR P16473 1/20 0.51

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
SCHEMBL20041608 0.84 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL473117 0.81 RAB9A (0.73) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL11089043 0.80 HPGD (0.51) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL7564852 0.79 RAB9A (0.79) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL7420208 0.79 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL12637644 0.78 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL13387474 0.78 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL16696399 0.77 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL1023753 0.77 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL7570518 0.76 RAB9A (0.66) RAB9ANPC1SMN1; SMN2HPGDCYP1A2

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
US-4482499-A IN THE PRESENCE OF CARBON BASF AKTIENGESELLSCHAFT (DE) 1984-11-13 US disclosed