SCHEMBL9869885

SCHEMBL9869885

C[C](C)C(Nc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
NAPRT Q6XQN6 1/20 0.48
MAPT P10636 6/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 5/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 2/20 0.45
LMNA P02545 2/20 0.45
ATM Q13315 2/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX5 P09917 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 4/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL27791663 0.88 HSD17B10 (0.48) HSD17B10NAPRTMAPTPOLBTDP1
SCHEMBL5511994 0.87 CA12 (0.50) HSD17B10NAPRTMAPTPOLBTDP1
SCHEMBL10666925 0.78 ATM (0.49) HSD17B10MAPTTDP1ALDH1A1TSHR
SCHEMBL9155687 0.78 POLB (0.55) HSD17B10NAPRTMAPTPOLBALDH1A1
SCHEMBL11404130 0.78 ATM (0.49) HSD17B10MAPTTDP1ALDH1A1TSHR
SCHEMBL9155698 0.78 POLB (0.55) HSD17B10NAPRTMAPTPOLBALDH1A1
SCHEMBL9334531 0.75 CA12 (0.50) HSD17B10NAPRTMAPTTDP1ALDH1A1
SCHEMBL33927 0.74 TDP1 (0.56) HSD17B10NAPRTMAPTPOLBTDP1
SCHEMBL1331551 0.74 TDP1 (0.56) HSD17B10NAPRTMAPTPOLBTDP1
SCHEMBL33928 0.74 TDP1 (0.56) HSD17B10NAPRTMAPTPOLBTDP1

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-5010161-A Of poly (phenylenebisalkylene) poly (phenylamine) with aldehyde, regenerated under hydrolysis, for use in moisture curable polyurethanes MITSUI TOATSU CHEMICALS, INC. (JP) 1991-04-23 US disclosed
EP-0375318-A2 Polyaldimine derivatives MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-27 EP disclosed