SCHEMBL9814404

SCHEMBL9814404

C=Cc1ccc(C(=O)OCCC(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.58
PKM P14618 2/20 0.58
HSD17B10 Q99714 1/20 0.58
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ESR1 P03372 2/20 0.42
TSHR P16473 2/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 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
SCHEMBL31509692 0.87 PKM (0.46) MAPK1PKMHSD17B10TAS1R3TAS1R1
SCHEMBL1953298 0.87 MAPK1 (0.73) MAPK1PKMHSD17B10ALDH1A1KDM4E
SCHEMBL13986654 0.85 TAS1R3 (0.47) MAPK1PKMHSD17B10TAS1R3TAS1R1
SCHEMBL26417020 0.85 SNCA (0.49) MAPK1TAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL4903685 0.84 TAS1R3 (0.52) TAS1R3TAS1R1ALDH1A1MAPTTSHR
SCHEMBL17984534 0.83 MAPK1 (0.65) MAPK1PKMHSD17B10ALDH1A1KDM4E
Formic Acid SCHEMBL22719985 0.83 MAPK1 (0.65) MAPK1PKMHSD17B10ALDH1A1KDM4E
SCHEMBL20505436 0.82 TAS1R3 (0.42) MAPK1PKMHSD17B10TAS1R3TAS1R1
SCHEMBL4904335 0.82 ALDH1A1 (0.64) MAPK1TAS1R3TAS1R1ALDH1A1KDM4E
SCHEMBL26417026 0.82 TDP1 (0.58) MAPK1ALDH1A1GAALMNATDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0211104-B1 COMPOSITES Nippon Shiken Dental Co., Ltd. (JP) 1991-08-21 EP disclosed
US-4705836-A Polymerization composition containing vinyl benzoic acid or a derivative thereof and a vinyl compound NIPPON SHIKEN DENTAL CO., LTD. (JP) 1987-11-10 US disclosed
EP-0211104-A2 Composites Nippon Shiken Dental Co., Ltd. (JP) 1987-02-25 EP disclosed