SCHEMBL10977909

SCHEMBL10977909

CCCCCCCCCCCCCCCCCc1cc2cc(C(=O)OC)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GHSR Q92847 3/20 0.48
GPR84 Q9NQS5 6/20 0.46
MTNR1B P49286 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
MGLL Q99685 4/20 0.44
HRH3 Q9Y5N1 1/20 0.42
CREBBP Q92793 1/20 0.42

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
SCHEMBL10981744 1.00 MTNR1A (0.49) MTNR1AMEN1KMT2AATML3MBTL1
SCHEMBL10980290 1.00 MTNR1A (0.49) MTNR1AMEN1KMT2AATML3MBTL1
SCHEMBL14386721 1.00 MTNR1A (0.49) MTNR1AMEN1KMT2AATML3MBTL1
SCHEMBL10985402 1.00 MTNR1A (0.49) MTNR1AMEN1KMT2AATML3MBTL1
SCHEMBL10983064 1.00 MTNR1A (0.49) MTNR1AMEN1KMT2AATML3MBTL1
SCHEMBL7411185 0.95 L3MBTL1 (0.51) MTNR1AMEN1KMT2AATML3MBTL1
SCHEMBL10982423 0.90 MEN1 (0.46) MTNR1AMEN1KMT2AATML3MBTL1
SCHEMBL10983062 0.90 MEN1 (0.46) MTNR1AMEN1KMT2AATML3MBTL1
SCHEMBL10984403 0.90 MEN1 (0.46) MTNR1AMEN1KMT2AATML3MBTL1
SCHEMBL5882041 0.89 MEN1 (0.56) MTNR1AMEN1KMT2AATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4493843-A Indole and indoline carboxylic acid compounds and method of use MAY & BAKER LIMITED (GB) 1985-01-15 US disclosed
EP-0042298-B1 INDOLE AND INDOLINE DERIVATIVES MAY & BAKER LIMITED (GB) 1984-09-12 EP disclosed
EP-0042298-A1 Indole and indoline derivatives MAY & BAKER LIMITED (GB) 1981-12-23 EP disclosed