SCHEMBL7068243

SCHEMBL7068243

COc1ccccc1S[C@@H](CCO)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
AGTR1 P30556 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
POLB P06746 2/20 0.35
HAO1 Q9UJM8 1/20 0.35
TNF P01375 1/20 0.35

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
SCHEMBL6934494 0.82 KMT2A (0.46) KMT2AMTNR1AMTNR1BAGTR1LMNA
SCHEMBL6935748 0.76 MTNR1A (0.38) KMT2AMTNR1AMTNR1BCA1CA2
SCHEMBL5962399 0.71 CA1 (0.50) KMT2AMTNR1AMTNR1BCA1CA2
SCHEMBL10364842 0.70 MTNR1A (0.59) KMT2AMTNR1AMTNR1BAGTR1CA1
SCHEMBL10510500 0.70 CA1 (0.42) KMT2AMTNR1AMTNR1BAGTR1LMNA
SCHEMBL28091963 0.70 CA1 (0.48) KMT2AMTNR1AMTNR1BCA1CA2
SCHEMBL6931481 0.69 TSHR (0.40) KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL6032828 0.68 POLB (0.49) KMT2AAGTR1LMNACYP1A2CA1
SCHEMBL6041415 0.68 MTNR1A (0.56) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL11853287 0.68 MTNR1A (0.42) KMT2AMTNR1AMTNR1BAGTR1LMNA

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
EP-1370547-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2003-12-17 EP disclosed
WO-2002081464-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2002-10-17 WO disclosed