SCHEMBL8058463

SCHEMBL8058463

CC(C(=O)O)(c1ccccc1)P(=O)(O)CCCC1CCCO1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX12 P18054 2/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
OXTR P30559 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8059138 0.72 HPGD (0.46) HPGDSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8058460 0.72 HPGD (0.43) HPGDSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8059149 0.71 HPGD (0.45) HPGDSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5052978 0.71 HPGD (0.45) HPGDSMN1; SMN2ALDH1A1ALOX12GLA
SCHEMBL5054412 0.71 HPGD (0.45) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8059152 0.71 HPGD (0.41) HPGDSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5051230 0.70 HPGD (0.46) HPGDSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8058466 0.70 HPGD (0.41) HPGDSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL16861247 0.69 HPGD (0.45) HPGDSMN1; SMN2HTT
SCHEMBL28528763 0.69 HPGD (0.50) HPGDSMN1; SMN2MEN1KMT2AALDH1A1

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-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed