SCHEMBL7871269

SCHEMBL7871269

C=CC(=O)Oc1ccc(NCC)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.63
TGM2 P21980 2/20 0.44
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
THRA P10827 1/20 0.39
LMNA P02545 3/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
POLB P06746 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL1263966 0.82 THRB (0.61) THRBTHRA
SCHEMBL1263947 0.82 THRB (0.61) THRBTHRA
SCHEMBL15114278 0.80 MAPT (0.58) KMT2AMEN1MAPTSMN1; SMN2HSD17B10
SCHEMBL10086611 0.80 THRB (0.53) THRBTGM2KMT2AMEN1MAPT
SCHEMBL9568488 0.79 HPGD (0.54) THRBTGM2MAPTSMN1; SMN2LMNA
SCHEMBL2587522 0.79 THRB (0.64) THRBTGM2KMT2AMEN1MAPT
SCHEMBL18994205 0.79 KMT2A (0.43) THRBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL20445995 0.78 ELANE (0.51) THRBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL16158571 0.78 THRB (0.45) THRBTGM2KMT2AMEN1MAPT
SCHEMBL4596017 0.77 THRB (1.00) THRBKMT2AMEN1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080382-A1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS Alcon Laboratories, Inc. (US) 2001-03-07 EP disclosed
WO-1999053347-A1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS ALCON LABORATORIES, INC. (US) 1999-10-21 WO disclosed