SCHEMBL10380346

SCHEMBL10380346

O=c1[nH]c(=O)n([C@@H]2CC[C@H](CO)O2)cc1Br

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
PYGM P11217 1/20 0.53
LMNA P02545 4/20 0.47
ALB P02768 2/20 0.47
MAPK1 P28482 1/20 0.47
TK1 P04183 4/20 0.44
TSHR P16473 2/20 0.43
PKM P14618 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL2035541 1.00 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBKMT2APYGM
SCHEMBL24695865 1.00 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBKMT2APYGM
Phosphoric Acid SCHEMBL3691397 0.95 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBKMT2APYGM
SCHEMBL21277516 0.90 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2POLBKMT2APYGM
SCHEMBL23485 0.85 LMNA (0.58) ALDH1A1POLBLMNAALBTK1
SCHEMBL22992337 0.85 LMNA (0.58) ALDH1A1POLBLMNAALBTK1
SCHEMBL14596607 0.85 LMNA (0.58) ALDH1A1POLBLMNAALBTK1
SCHEMBL19657129 0.85 LMNA (0.48) ALDH1A1SMN1; SMN2POLBLMNAALB
SCHEMBL762579 0.85 LMNA (0.58) ALDH1A1POLBLMNAALBTK1
SCHEMBL925743 0.85 LMNA (0.58) ALDH1A1POLBLMNAALBTK1

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-4968788-A DRUG DELIVERY, ANTITUMOR AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-11-06 US claimed
WO-1990008155-A1 BIOLOGICALLY REVERSIBLE PHOSPHATE AND PHOSPHONATE PROTECTIVE GROUPS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-07-26 WO disclosed