SCHEMBL27416181

SCHEMBL27416181

CCOC(=O)C(C)[P](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
TSHR P16473 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PIN1 Q13526 1/20 0.49
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
MMP8 P22894 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL28679013 0.84 POLB (0.65) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL27799343 0.81 KMT2A (0.50) POLBTSHRALDH1A1KMT2ATDP1
Hydrochloric Acid SCHEMBL28146281 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL24225368 0.75 ELANE (0.49) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL11163913 0.73 POLB (0.49) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL10440120 0.73 PIN1 (0.44) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL13751893 0.73 MMP8 (0.54) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL9126861 0.73 MMP8 (0.54) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL9567088 0.73 MEN1 (0.51) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL16477715 0.73 MMP8 (0.54) POLBTSHRALDH1A1MEN1KMT2A

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
CN-1494906-A Application of compound in preparation of medicine for preventing and curing multiple drug resistance ��̩��˹ҩ��ɷ����޹�˾ 2004-05-12 CN disclosed
CN-1086386-C Multi-drug resistance modifiers VERTEX PHARMA (US) 2002-06-19 CN disclosed