SCHEMBL21993645

SCHEMBL21993645

O=C(CCS)OCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
FFAR1 O14842 2/20 0.48
MGLL Q99685 2/20 0.47
FAAH O00519 1/20 0.47
POLB P06746 1/20 0.47
EPHX1 P07099 1/20 0.47
ABCC4 O15439 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL1200923 0.90 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL10582302 0.88 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL996249 0.88 ALDH1A1 (0.48) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL24372533 0.86 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MEN1
SCHEMBL3708328 0.83 TDP1 (0.66) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL3998153 0.83 IDO1 (0.53) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MEN1
SCHEMBL27789016 0.82 MEN1 (0.58) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MEN1
SCHEMBL26190108 0.81 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MEN1
SCHEMBL23197322 0.80 MAPT (0.49) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MEN1
SCHEMBL24404066 0.80 ALDH1A1 (0.60) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MEN1

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-20200148538-A1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, AND DEVICE WITH THERMALLY CONDUCTIVE LAYER FUJIFILM CORPORATION (JP) 2020-05-14 US disclosed