SCHEMBL7073776

SCHEMBL7073776

COC(=O)CC(CSc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MTNR1A P48039 4/20 0.48
MTNR1B P49286 4/20 0.48
KCNA5 P22460 1/20 0.44
KMT2A Q03164 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
F2 P00734 2/20 0.41
F10 P00742 2/20 0.41
PRSS1 P07477 1/20 0.40
LMNA P02545 1/20 0.40
FFAR1 O14842 1/20 0.40
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7079205 0.92 ALDH1A1 (0.47) ALDH1A1MTNR1AMTNR1BKCNA5KMT2A
SCHEMBL7077638 0.90 ALDH1A1 (0.46) ALDH1A1MTNR1AMTNR1BKCNA5KMT2A
SCHEMBL7995142 0.84 ALDH1A1 (0.67) ALDH1A1KCNA5KMT2APKMHPGD
SCHEMBL10175188 0.81 MTNR1A (0.54) ALDH1A1MTNR1AMTNR1BKCNA5MAOA
SCHEMBL554681 0.80 MAOA (0.50) ALDH1A1MTNR1AMTNR1BKMT2AMAOA
SCHEMBL554680 0.80 MAOA (0.50) ALDH1A1MTNR1AMTNR1BKMT2AMAOA
SCHEMBL22303151 0.79 ALDH1A1 (0.57) ALDH1A1KCNA5KMT2ALMNAFFAR1
SCHEMBL12268202 0.79 ALDH1A1 (0.61) ALDH1A1KCNA5KMT2AMAPT
SCHEMBL7239668 0.79 ALDH1A1 (0.57) ALDH1A1KCNA5KMT2ALMNAFFAR1
SCHEMBL1811811 0.79 ALDH1A1 (0.61) ALDH1A1KCNA5KMT2AMAPT

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
WO-2003059872-A1 AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO disclosed
WO-2003059872-A1 AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO disclosed