SCHEMBL1897765

SCHEMBL1897765

C=C(C)C(=O)OC1CCCC(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
GPX4 P36969 1/20 0.32
ATM Q13315 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL75437 0.90 CA1 (0.38) ALDH1A1CA1CA9GPX4ATM
SCHEMBL10940067 0.79 GPX4 (0.36) ALDH1A1GPX4ATMKDM4ENPC1
SCHEMBL10963251 0.78 TSHR (0.36) CA1CA9POLBMAPTHTT
SCHEMBL6753672 0.78 CA1 (0.33) CA1CA9CYP2D6
SCHEMBL1898772 0.75
SCHEMBL12837581 0.75 CYP2D6 (0.42) ALDH1A1ATMKMT2ACYP2D6
SCHEMBL10159557 0.75 ALDH1A1 (0.39) ALDH1A1CA1CA9ATMKMT2A
SCHEMBL9909395 0.75 PRKCA (0.40) GPX4ATMKDM4ENPC1POLB
SCHEMBL12124127 0.75 ALDH1A1 (0.36) ALDH1A1POLBHTTTDP1
SCHEMBL4093121 0.73 CA1 (0.38) ALDH1A1CA1CA9KDM4ENPC1

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-20110198730-A1 HYPERBRANCHED POLYMER SYNTHESIZING METHOD, HYPERBRANCHED POLYMER, RESIST COMPOSITION, SEMICONDUCTOR INTEGRATED CIRCUIT, AND SEMICONDUCTOR INTEGRATED CIRCUIT FABRICATION METHOD LION CORPORATION 2011-08-18 US disclosed
US-20110101503-A1 HYPERBRANCHED POLYMER SYNTHESIZING METHOD, HYPERBRANCHED POLYMER, RESIST COMPOSITION, SEMICONDUCTOR INTEGRATED CIRCUIT, AND SEMICONDUCTOR INTEGRATED CIRCUIT FABRICATION METHOD LION CORPORATION (JP) 2011-05-05 US disclosed