SCHEMBL7772647

SCHEMBL7772647

CC(C)(C)OP(=O)(O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.44
FDPS P14324 1/20 0.43
CETP P11597 3/20 0.41
FOLH1 Q04609 1/20 0.40
LAP3 P28838 1/20 0.40
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
MMP13 P45452 2/20 0.39
MMP2 P08253 2/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39

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
SCHEMBL7610589 0.84 ALDH1A1 (0.44) HPGDTSHRFDPSMMP1MMP3
SCHEMBL2368900 0.84 MEN1 (0.43) MMP1
SCHEMBL16825124 0.81 HPGD (0.46) HPGDTSHRFDPS
SCHEMBL9114214 0.81 HPGD (0.44) HPGDTSHRFDPSMMP1
SCHEMBL28826521 0.80 HPGD (0.44) HPGDTSHRFDPS
SCHEMBL232550 0.79 LAP3 (0.51) HPGDTSHRFDPSCETPLAP3
SCHEMBL7631529 0.77 TSHR (0.68) HPGDTSHRCETPFOLH1
SCHEMBL915800 0.77 TSHR (0.52) HPGDTSHRCETP
SCHEMBL3043405 0.76 HPGD (0.52) HPGDTSHRFDPSCETPLAP3
SCHEMBL5054716 0.76 FOLH1 (0.43) CETPFOLH1MMP1MMP3MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986811-B1 MAGNETIC RECORDING MEDIA INCORPORATING SURFACE TREATED MAGNETIC PIGMENT IMATION CORP (US) 2001-08-08 EP disclosed
EP-0909298-A1 STABILISATION OF PAINTS WITH SPIROINDANE DERIVATIVES Ciba SC Holding AG (CH) 1999-04-21 EP disclosed
WO-1998001507-A1 STABILISATION OF PAINTS WITH SPIROINDANE DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-01-15 WO disclosed
EP-0659188-A4 METHODS FOR THE SYNTHESIS OF PHOSPHONATE ESTERS. AFFYMAX TECH NV (AN) 1995-11-22 EP disclosed
EP-0659188-A1 METHODS FOR THE SYNTHESIS OF PHOSPHONATE ESTERS AFFYMAX TECHNOLOGIES N.V. (AN) 1995-06-28 EP disclosed
US-5420328-A Esterification with alcohol and hydrolysis AFFYMAX TECHNOLOGIES, N.V. (AN) 1995-05-30 US disclosed
US-5359115-A Reacting phosphonic monoester with dialkylazodicarboxylate, triphenylphosphine and secondary alcohol to form diester, hydrolyzing selective ester to form monoester, coupling an aminoacid to yield peptidylphosphonate AFFYMAX TECHNOLOGIES, N.V. (US) 1994-10-25 US disclosed
WO-1994006808-A1 METHODS FOR THE SYNTHESIS OF PHOSPHONATE ESTERS AFFYMAX TECHNOLOGIES N.V. (AN) 1994-03-31 WO disclosed