SCHEMBL11632425

SCHEMBL11632425

Cc1ccc(CO[C@H]2CO[C@@H](c3ccccc3)OC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TACR1 P25103 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C19 P33261 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
AGXT P21549 1/20 0.36
HCRTR2 O43614 1/20 0.36
SLC18A3 Q16572 2/20 0.36

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
SCHEMBL11632428 1.00 NAAA (0.42) NAAAL3MBTL1TACR1MEN1KMT2A
SCHEMBL1560842 0.89 CTSL (0.45) NAAAL3MBTL1MEN1KMT2ACYP2C19
SCHEMBL11637675 0.89 CTSL (0.45) NAAAL3MBTL1MEN1KMT2ACYP2C19
SCHEMBL11635684 0.89 CTSL (0.45) NAAAL3MBTL1MEN1KMT2ACYP2C19
SCHEMBL11633902 0.85 SLC18A3 (0.48) NAAATACR1SLC18A3
SCHEMBL16600197 0.85 FABP7 (0.40) NAAAMEN1KMT2ACYP2C19CTSL
SCHEMBL11634478 0.85 MEN1 (0.42) NAAAL3MBTL1TACR1MEN1KMT2A
SCHEMBL17434601 0.85 APP (0.42) NAAAL3MBTL1MEN1KMT2ACYP2C19
SCHEMBL11633899 0.85 SLC18A3 (0.48) NAAATACR1SLC18A3
SCHEMBL11634473 0.85 MEN1 (0.42) NAAAL3MBTL1TACR1MEN1KMT2A

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
US-4077982-A HERBICIDES FMC CORPORATION (US) 1978-03-07 US claimed
US-4077982-A HERBICIDES FMC CORPORATION (US) 1978-03-07 US disclosed