SCHEMBL10690558

SCHEMBL10690558

O=C(Nc1ccccc1)C1(CO)CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 3/20 0.44
TP53 P04637 2/20 0.44
EPHX2 P34913 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.44
CDK9 P50750 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
SLC6A2 P23975 1/20 0.43
LMNA P02545 2/20 0.42
FAAH O00519 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41

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
SCHEMBL9817680 0.75 LMNA (0.61) NAPRTHSD17B10KMT2AMEN1POLB
SCHEMBL12629111 0.70 ALDH1A1 (0.51) KMT2AMEN1TSHRSLC6A2LMNA
SCHEMBL9304492 0.70 TSHR (0.54) NAPRTHSD17B10KMT2AMEN1TP53
SCHEMBL14817483 0.68 NAPRT (0.53) NAPRTHSD17B10KMT2AMEN1POLB
SCHEMBL22110225 0.68 FAAH (0.50) NAPRTHSD17B10KMT2AMEN1POLB
SCHEMBL8052548 0.68 LMNA (0.48) NAPRTHSD17B10KMT2AMEN1POLB
SCHEMBL13830839 0.67 TSHR (0.50) NAPRTHSD17B10KMT2AMEN1TP53
SCHEMBL28667446 0.67 SMN1; SMN2 (0.50) NAPRTHSD17B10KMT2AMEN1TP53
SCHEMBL1522066 0.67 NAPRT (0.52) NAPRTHSD17B10KMT2AMEN1POLB
SCHEMBL106428 0.67 SPHK1 (0.50) NAPRTHSD17B10KMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4772694-A Chiral 3-(1,2,5-trisubstituted imidazolidinone) azetidinone antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-09-20 US disclosed