SCHEMBL4787216

SCHEMBL4787216

CC1(C)Cc2cc(S(N)(=O)=O)cc(O)c2O1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.38
PDPK1 O15530 1/20 0.38
PHLPP1 O60346 1/20 0.38
ILK Q13418 1/20 0.38
APLNR P35414 1/20 0.38
HTR2A P28223 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 3/20 0.34
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4788883 0.84 TSHR (0.39) HTR2AALDH1A1CA12CA1CA2
SCHEMBL10805819 0.82 LMNA (0.36) AKT1PDPK1PHLPP1ILKHTR2A
SCHEMBL23667871 0.75 SELL (0.37) AKT1HTR2AALDH1A1LMNAMAPT
SCHEMBL4750506 0.74 AKT1 (0.36) AKT1PDPK1PHLPP1ILKHTR2A
SCHEMBL4752969 0.74 PKM (0.46) ALDH1A1MAPT
SCHEMBL4750485 0.73 HTR2A (0.51) AKT1HTR2AALDH1A1LMNA
SCHEMBL23667872 0.73 HTR2A (0.38) AKT1HTR2AALDH1A1LMNAMAPT
SCHEMBL4754019 0.73 ALOX15 (0.37) AKT1HTR2AALDH1A1LMNAMAPT
SCHEMBL30079686 0.73 ALOX15 (0.37) AKT1HTR2AALDH1A1LMNAMAPT
SCHEMBL10689616 0.73 CA2 (0.45) CA12CA1CA2CA9CA7

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
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed