SCHEMBL13610029

SCHEMBL13610029

COC(=O)CC(C)CCSc1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
HPGD P15428 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.38
MIF P14174 1/20 0.37
MMP1 P03956 4/20 0.35
MMP2 P08253 3/20 0.35
MMP3 P08254 2/20 0.35
MMP7 P09237 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
MMP14 P50281 2/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
FCER2 P06734 2/20 0.35
KDM4E B2RXH2 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL28814793 0.77 RAB9A (0.41) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL7760354 0.77 RAB9A (0.41) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL28814775 0.77 RAB9A (0.41) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL6703333 0.76 KMT2A (0.53) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL13610024 0.76 POLB (0.44) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL14066226 0.76 NPC1 (0.36) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL13610025 0.74 ALDH1A1 (0.59) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL9106592 0.73 TAS1R3 (0.38) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL14273828 0.73 LMNA (0.39) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL7536883 0.73 LMNA (0.39) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1

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-7615233-B2 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed
US-7527809-B2 Polyhydroxyalkanoate-containing magnetic structure, and manufacturing method and use thereof CANON KABUSHIKI KAISHA (JP) 2009-05-05 US disclosed