SCHEMBL20169245

SCHEMBL20169245

O=C(O)CCC(=O)c1ccc(Sc2ccc([SH](=O)(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.54
LMNA P02545 3/20 0.53
CYP1A2 P05177 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
FFAR1 O14842 1/20 0.53
RAB9A P51151 1/20 0.53
HIF1A Q16665 1/20 0.53
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.46
USP5 P45974 1/20 0.43
HPGD P15428 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 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
SCHEMBL316197 0.86 NR4A2 (0.68) NR4A2LMNACYP1A2SMN1; SMN2FFAR1
SCHEMBL10884661 0.84 NR4A2 (0.63) NR4A2LMNACYP1A2SMN1; SMN2FFAR1
SCHEMBL28031072 0.79 HPGD (0.42) LMNASMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL16469969 0.77 HPGD (0.45) SMN1; SMN2ALDH1A1HPGDMAPTMAPK1
SCHEMBL354105 0.73 NR4A2 (1.00) NR4A2LMNACYP1A2SMN1; SMN2FFAR1
SCHEMBL10353454 0.73 NR4A2 (0.81) NR4A2LMNACYP1A2SMN1; SMN2FFAR1
SCHEMBL15960793 0.71 HPGD (0.55) NR4A2LMNACYP1A2SMN1; SMN2FFAR1
SCHEMBL242996 0.71 L3MBTL1 (0.66) NR4A2LMNACYP1A2SMN1; SMN2FFAR1
SCHEMBL7408024 0.71 NR4A2 (0.95) NR4A2LMNACYP1A2SMN1; SMN2FFAR1
SCHEMBL6547078 0.71 NR4A2 (0.95) NR4A2LMNACYP1A2SMN1; SMN2FFAR1

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
US-9977328-B2 Chemically amplified positive-type photosensitive resin composition for thick film TOKYO OHKA KOGYO CO., LTD. (JP) 2018-05-22 US disclosed