SCHEMBL3945854

SCHEMBL3945854

CC(C)CC(C)(O)Cc1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
NR3C1 P04150 9/20 0.46
PGR P06401 7/20 0.46
NR3C2 P08235 7/20 0.46
CYP2D6 P10635 3/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CASR P41180 1/20 0.42
TACR1 P25103 1/20 0.42
TACR3 P29371 1/20 0.42

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
SCHEMBL27754237 0.86 NR3C1 (0.45) LOXL2NR3C1PGRNR3C2CYP2D6
SCHEMBL3653908 0.86 NR3C1 (0.55) LOXL2NR3C1PGRNR3C2
SCHEMBL27754238 0.83 LOXL2 (0.44) LOXL2NR3C1PGRNR3C2CYP2D6
SCHEMBL5821510 0.82 LOXL2 (0.43) LOXL2NR3C1PGRNR3C2CYP2D6
SCHEMBL28246983 0.81 LOXL2 (0.55) LOXL2NR3C1PGRNR3C2CYP2D6
SCHEMBL5860946 0.78 CYP2D6 (0.47) LOXL2NR3C1PGRNR3C2CYP2D6
SCHEMBL9734545 0.77 LOXL2 (0.58) LOXL2NR3C1PGRNR3C2MTNR1A
SCHEMBL10945651 0.74 LOXL2 (0.59) LOXL2NR3C1PGRNR3C2MTNR1A
SCHEMBL31280332 0.74 LOXL2 (0.55) LOXL2NR3C1PGRNR3C2MTNR1A
SCHEMBL9027554 0.74 LOXL2 (0.58) LOXL2MTNR1AMTNR1BCASR

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-2051710-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO disclosed