SCHEMBL15908119

SCHEMBL15908119

Cc1ccc(C(=O)OCC(=O)OCCCCOC(=O)COC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ TDP1 Q9NUW8 3/20 0.54
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NR1H2 P55055 1/20 0.47
▸ RNASEL Q05823 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL15908151 0.97 TDP1 (0.58) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL15908100 0.93 RAB9A (0.60) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL3438973 0.92 RAB9A (0.60) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL3438971 0.89 LMNA (0.59) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL15908152 0.88 RAB9A (0.55) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL6578044 0.87 TDP1 (0.64) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL14984030 0.85 TDP1 (0.62) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL6578053 0.85 TDP1 (0.62) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL3438972 0.85 LMNA (0.60) RAB9ANPC1ALDH1A1MAPTTDP1
SCHEMBL13410610 0.83 TSHR (0.59) RAB9ANPC1ALDH1A1MAPTTDP1

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-20140213688-A1 Absorbable Multi-Putty Bone Cements and Hemostatic Compositions and Methods of Use ABYRX, INC. (US) 2014-07-31 — — US disclosed
US-20140213688-A1 Absorbable Multi-Putty Bone Cements and Hemostatic Compositions and Methods of Use ABYRX, INC. (US) 2014-07-31 — — US disclosed
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