SCHEMBL8458374

SCHEMBL8458374

COC(=O)CCCC(=O)OP(=O)(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
TSHR P16473 3/20 0.51
LMNA P02545 2/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTPRC P08575 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKT1 P31749 1/20 0.40

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
SCHEMBL8732951 0.87 NPSR1 (0.50) POLBTSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL8457131 0.79 TSHR (0.49) POLBTSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL4422382 0.78 POLB (0.47) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL8459534 0.77 CA12 (0.47) TSHRLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL28864257 0.76 POLB (0.49) POLBTSHRALDH1A1KDM4EKMT2A
SCHEMBL17045877 0.76 POLB (0.54) POLBTSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL8154438 0.76 TSHR (0.49) POLBTSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL8458503 0.76 CA12 (0.46) TSHRLMNAALDH1A1KDM4EMAPT
SCHEMBL4558544 0.76 CFTR (0.60) POLBTSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL17052738 0.75 POLB (0.53) POLBTSHRLMNAALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880112-A PHOSPHINIC ACID DERIVATIVES; PROSTATE CANCER TREATMENT GUILFORD PHARMACEUTICALS INC. (US) 1999-03-09 US claimed
US-5880112-A PHOSPHINIC ACID DERIVATIVES; PROSTATE CANCER TREATMENT GUILFORD PHARMACEUTICALS INC. (US) 1999-03-09 US disclosed
US-5804602-A N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1998-09-08 US disclosed
US-5672592-A HYDROLASE INHIBITORS, ANTITUMOR AND ANTICARCINOGENIC AGENTS, FOR PROSTATE CANCER GUILFORD PHARMACEUTICALS INC. (US) 1997-09-30 US disclosed