SCHEMBL5899665

SCHEMBL5899665

COC(=O)c1ccc(OC(=O)c2ccccc2)cc1.[NaH].[NaH]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.70
PARP10 Q53GL7 1/20 0.66
KMT2A Q03164 6/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 2/20 0.63
MAPT P10636 7/20 0.62
KDM4E B2RXH2 1/20 0.62
POLB P06746 1/20 0.62
RAB9A P51151 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
PKM P14618 1/20 0.62
NPC1 O15118 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
ACR P10323 2/20 0.59
HGFAC Q04756 1/20 0.59
PRSS1 P07477 1/20 0.58
SLC6A3 Q01959 1/20 0.57

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
SCHEMBL28970859 1.00 TSHR (0.70) TSHRPARP10KMT2AALDH1A1MEN1
SCHEMBL6274207 0.98 TSHR (0.73) TSHRPARP10KMT2AALDH1A1MEN1
SCHEMBL15382238 0.93 TSHR (0.66) TSHRPARP10KMT2AALDH1A1MEN1
SCHEMBL4629585 0.92 TSHR (0.69) TSHRPARP10KMT2AALDH1A1MEN1
SCHEMBL7518320 0.90 CA1 (0.72) TSHRKMT2AALDH1A1MEN1MAPT
SCHEMBL9663679 0.88 PARP10 (0.81) PARP10KMT2AALDH1A1MEN1MAPT
SCHEMBL8749898 0.87 KMT2A (0.59) TSHRPARP10KMT2AALDH1A1MEN1
SCHEMBL23055653 0.87 CA1 (0.62) TSHRPARP10KMT2AALDH1A1MAPT
SCHEMBL19382902 0.87 CA1 (0.62) TSHRPARP10KMT2AALDH1A1MAPT
SCHEMBL23055654 0.87 CA1 (0.62) TSHRPARP10KMT2AALDH1A1MAPT

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
US-20060257507-A1 Herbal cough formulations and process for the preparation thereof J.B. CHEMICALS & PHARMACEUTICALS, LTD. (IN) 2006-11-16 US claimed
US-20030228383-A1 Herbal cough formulations and process for the preparation thereof J.B. CHEMICALS & PHARMACEUTICALS, LTD. (IN) 2003-12-11 US claimed