SCHEMBL8398017

SCHEMBL8398017

O=C(O)[C@@H]1Cc2ccccc2C[C@H]1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.54
MMP8 P22894 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
GRM7 Q14831 2/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
FFAR1 O14842 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7506591 1.00 MMP3 (0.54) MMP3MMP8MEN1KMT2AGAA
SCHEMBL8398009 1.00 MMP3 (0.54) MMP3MMP8MEN1KMT2AGAA
SCHEMBL10738463 0.88 MMP3 (0.46) MMP3MMP8MEN1KMT2AGAA
SCHEMBL10796947 0.85 MMP3 (0.47) MMP3MMP8MEN1KMT2AGAA
SCHEMBL8397535 0.83 TFPI2 (0.51) MMP3MMP8MEN1KMT2AMAPT
SCHEMBL8397538 0.83 TFPI2 (0.51) MMP3MMP8MEN1KMT2AMAPT
SCHEMBL8397537 0.83 TFPI2 (0.51) MMP3MMP8MEN1KMT2AMAPT
SCHEMBL8401362 0.80 MAPT (0.47) MEN1KMT2AGAAMAPTTSHR
SCHEMBL4822683 0.80 MAPT (0.47) MEN1KMT2AGAAMAPTTSHR
SCHEMBL8401366 0.80 MAPT (0.47) MEN1KMT2AGAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869518-A USEFUL IN THE TREATMENT OF OBESITY AND HYPERGLYCEMIA SYNTHELABO (FR) 1999-02-09 US disclosed
US-4642315-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1987-02-10 US disclosed
US-4587234-A HYPOTENSIVES E. R. SQUIBB & SONS, INC. (US) 1986-05-06 US disclosed
US-4499079-A ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-02-12 US disclosed