SCHEMBL8412635

SCHEMBL8412635

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
SRC P12931 1/20 0.55
CETP P11597 3/20 0.44
PDPK1 O15530 2/20 0.44
MTOR P42345 1/20 0.44
AKR1C3 P42330 1/20 0.41
ALPG P10696 1/20 0.41
PTK2B Q14289 1/20 0.41
FOLH1 Q04609 1/20 0.40
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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 0.83 TSHR (0.50) TSHRSRCCETPNPC1CASP3
SCHEMBL8412882 0.81 TSHR (0.47) TSHRSRCCETPPDPK1MTOR
SCHEMBL8409179 0.81 TSHR (0.47) TSHRSRCCETPPDPK1MTOR
SCHEMBL27908642 0.80 TSHR (1.00) TSHRSRCCETPPDPK1MTOR
SCHEMBL51316 0.80 TSHR (1.00) TSHRSRCCETPPDPK1MTOR
SCHEMBL444558 0.80 TSHR (0.75) TSHRSRCCETPPDPK1MTOR
SCHEMBL4219700 0.79 TSHR (0.96) TSHRSRCCETPPDPK1MTOR
SCHEMBL11756554 0.79 TSHR (0.96) TSHRSRCCETPPDPK1MTOR
Hydrochloric Acid SCHEMBL10722992 0.79 TSHR (0.96) TSHRSRCCETPPDPK1MTOR
SCHEMBL9446520 0.79 TSHR (0.96) TSHRSRCCETPPDPK1MTOR

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