SCHEMBL8695136

SCHEMBL8695136

COc1ccc2occ(CCC(=O)O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.67
MTNR1B P49286 3/20 0.67
NQO2 P16083 1/20 0.67
POLB P06746 1/20 0.57
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL8690384 0.92 MTNR1A (0.64) MTNR1AMTNR1BNQO2POLBALDH1A1
SCHEMBL17785106 0.89 MTNR1A (0.70) MTNR1AMTNR1BNQO2ALDH1A1LMNA
SCHEMBL8695135 0.89 POLB (0.57) MTNR1AMTNR1BNQO2POLBALDH1A1
SCHEMBL8695023 0.88 MTNR1A (0.65) MTNR1AMTNR1BNQO2ALDH1A1RAB9A
SCHEMBL8886379 0.86 MTNR1A (0.62) MTNR1AMTNR1BNQO2ALDH1A1RAB9A
SCHEMBL31622920 0.86 MTNR1A (0.62) MTNR1AMTNR1BNQO2ALDH1A1RAB9A
SCHEMBL8006826 0.84 MTNR1A (0.64) MTNR1AMTNR1BNQO2ALDH1A1LMNA
SCHEMBL4137010 0.82 MTNR1A (0.65) MTNR1AMTNR1BNQO2ALDH1A1LMNA
SCHEMBL8690388 0.81 MAPT (0.53) MTNR1AMTNR1BNQO2POLBALDH1A1
SCHEMBL7018941 0.80 MTNR1A (1.00) MTNR1AMTNR1BNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5721276-A TREATING DISORDERS OF MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-02-24 US disclosed