SCHEMBL15087732

SCHEMBL15087732

C[C@H](O)CNC(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ HDAC1 Q13547 1/20 0.60
▸ PPARG P37231 1/20 0.56
▸ NCOA2 Q15596 1/20 0.56
▸ NCOA1 Q15788 1/20 0.56
▸ NCOA3 Q9Y6Q9 1/20 0.56
▸ ACKR3 P25106 6/20 0.56
▸ HPGDS O60760 1/20 0.56
▸ ESRRG P62508 1/20 0.54
▸ RXFP1 Q9HBX9 2/20 0.53
▸ TP53 P04637 3/20 0.53
▸ ERCC5 P28715 1/20 0.51
▸ FEN1 P39748 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CTSB P07858 1/20 0.50

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
SCHEMBL15087762 0.81 HDAC1 (0.62) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL8791232 0.77 NPC1 (0.61) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL12495675 0.77 RAB9A (1.00) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL5903684 0.76 HDAC1 (1.00) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL28007421 0.76 MAPK1 (0.57) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL28799913 0.76 MAPK1 (0.57) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL28801511 0.76 MAPK1 (0.57) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL20764251 0.75 ESRRG (0.73) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL16373032 0.74 NPC1 (0.65) RAB9ANPC1ALDH1A1HPGDHDAC1
SCHEMBL15090036 0.74 NPC1 (0.65) RAB9ANPC1ALDH1A1HPGDHDAC1

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
EP-2610263-A1 Sialic acid dimers Brossmer, Reinhard (DE) 2013-07-03 — — EP disclosed
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