SCHEMBL9405147

SCHEMBL9405147

NOC=C(C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.53
KMT2A Q03164 3/20 0.44
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
PARP1 P09874 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 1/20 0.42
AKR1C2 P52895 2/20 0.42
AKR1C3 P42330 1/20 0.42
F2 P00734 1/20 0.41
LMNA P02545 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
SCHEMBL1996920 0.79 AKR1C1 (0.53) AKR1C1KMT2ATSHRTDP1POLB
SCHEMBL2407093 0.79 AKR1C1 (0.53) AKR1C1KMT2ATSHRTDP1POLB
SCHEMBL1996915 0.79 AKR1C1 (0.53) AKR1C1KMT2ATSHRTDP1POLB
SCHEMBL15579004 0.79 AKR1C1 (0.53) AKR1C1KMT2ATSHRTDP1POLB
SCHEMBL19640358 0.78 AKR1C1 (0.52) AKR1C1KMT2ATSHRTDP1RECQL
SCHEMBL4320579 0.76 AKR1C1 (0.50) AKR1C1KMT2ATSHRTDP1POLB
SCHEMBL30731321 0.76 AKR1C1 (0.50) AKR1C1KMT2ATSHRTDP1POLB
SCHEMBL7118621 0.76 AKR1C1 (0.59) AKR1C1KMT2ATSHRTDP1POLB
SCHEMBL27847441 0.76 AKR1C1 (0.59) AKR1C1KMT2ATSHRTDP1POLB
SCHEMBL16211207 0.76 AKR1C1 (0.59) AKR1C1KMT2ATSHRTDP1POLB

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
JP-6199759-A None JP disclosed
JP-H06199759-A PREPARATION OF PHENYLACETIC ACID DERIVATIVE CIBA GEIGY AG 1994-07-19 JP disclosed