SCHEMBL4753778

SCHEMBL4753778

CC(C)C1CCC(C)(S(=O)(=O)F)C(c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.35
KDM1A O60341 4/20 0.35
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
GRIA4 P48058 2/20 0.32
RIPK1 Q13546 5/20 0.32
NR1H2 P55055 2/20 0.30
TRPA1 O75762 1/20 0.30
TSHR P16473 1/20 0.30
NR1H3 Q13133 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNQ4 P56696 1/20 0.30
KCNQ5 Q9NR82 1/20 0.30

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
SCHEMBL337274 0.76 KDM1A (0.40) OPRL1KDM1AMAOAMAOB
SCHEMBL8675186 0.72 OPRL1 (0.35) OPRL1KDM1AMAOAMAOB
SCHEMBL4333830 0.65 ESR2 (0.42)
SCHEMBL841803 0.64
SCHEMBL11558720 0.63
SCHEMBL24322076 0.63 SLC6A4 (0.38) OPRL1KDM1AMAOAMAOB
SCHEMBL5244042 0.62 OPRL1 (0.39) OPRL1KDM1AMAOAMAOB
SCHEMBL11556233 0.61
SCHEMBL11556239 0.61
SCHEMBL11556235 0.61

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-20160370385-A1 ASSAY FOR ANTI-MULLERIAN HORMONE OTAGO INNOVATION LTD (NZ) 2016-12-22 US disclosed
WO-2008151405-A1 EXPRESSION OF FUSION PROTEINS CONTAINING A SINGLE CHAIN ANTIBODY FRAGMENT LINKED TO ELASTIN-LIKE REPEATING UNITS IN TRANSGENIC PLANTS HER MAJESTY THE QUEEN IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF AGRICULTURE AND AGRI-FOOD (CA) 2008-12-18 WO disclosed