SCHEMBL8409182

SCHEMBL8409182

O=P(OCl)(OCc1ccccc1)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
SRC P12931 1/20 0.37
CETP P11597 3/20 0.36
ELANE P08246 1/20 0.36
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
BRD4 O60885 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
FOLH1 Q04609 1/20 0.33
PDPK1 O15530 1/20 0.33
MTOR P42345 1/20 0.33
ALPG P10696 1/20 0.33
PTK2B Q14289 1/20 0.33
CASP3 P42574 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL8412292 0.91 TSHR (0.50) TSHRSRCCETPELANENPC1
SCHEMBL8412882 0.88 TSHR (0.47) TSHRSRCCETPELANEALDH1A1
SCHEMBL233190 0.82 TSHR (0.59) TSHRSRCCETPELANEALDH1A1
SCHEMBL5907551 0.82 TSHR (0.59) TSHRSRCCETPELANEALDH1A1
SCHEMBL8409179 0.81 TSHR (0.47) TSHRSRCCETPALDH1A1NPC1
SCHEMBL8519323 0.81 TSHR (0.50) TSHRSRCCETPELANE
SCHEMBL8412635 0.78 TSHR (0.66) TSHRSRCCETPALDH1A1NPC1
SCHEMBL9051015 0.76 TSHR (0.52) TSHRSRCCETPELANEALDH1A1
SCHEMBL206609 0.74 TSHR (0.68) TSHRSRCCETPELANEALDH1A1
SCHEMBL8409318 0.74 CA1 (0.31)

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
EP-0931085-A1 PHOSPHORYLATING REAGENTS The University Court of the University of St. Andrews (GB) 1999-07-28 EP disclosed
WO-1998012201-A1 PHOSPHORYLATING REAGENTS THE UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 1998-03-26 WO disclosed