SCHEMBL15908100

SCHEMBL15908100

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ MAPT P10636 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.52
▸ KMT2A Q03164 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ADRB2 P07550 1/20 0.46
▸ ADRB1 P08588 1/20 0.46

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
SCHEMBL15908152 0.95 RAB9A (0.55) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL15908151 0.93 TDP1 (0.58) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL15908119 0.93 RAB9A (0.57) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL3438972 0.92 LMNA (0.60) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL3438975 0.88 LMNA (0.55) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL206554 0.86 TDP1 (0.61) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL3438971 0.86 LMNA (0.59) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL3438973 0.86 RAB9A (0.60) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL16270229 0.82 RAB9A (0.44) RAB9ANPC1MAPTALDH1A1TDP1
SCHEMBL10301412 0.81 LMNA (0.59) RAB9ANPC1MAPTALDH1A1GAA

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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