SCHEMBL8848969

SCHEMBL8848969

C=CC(=O)NCC1CCC2OC2C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
TGM2 P21980 3/20 0.33
ALOX15 P16050 1/20 0.33
CYP3A4 P08684 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
BTK Q06187 3/20 0.30

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
SCHEMBL10729681 0.80 ALDH1A1 (0.52) ALDH1A1TDP1TSHRMAPK1LMNA
SCHEMBL368411 0.80
SCHEMBL18615849 0.78 ALDH1A1 (0.42) ALDH1A1TDP1TSHRMAPK1LMNA
SCHEMBL4364632 0.78 ALDH1A1 (0.45) ALDH1A1TDP1TSHRMAPK1LMNA
SCHEMBL4143125 0.77 TDP1 (0.35) ALDH1A1TDP1TSHRLMNACYP3A4
SCHEMBL7721829 0.77
SCHEMBL17915685 0.77 TSHR (0.41) ALDH1A1TDP1TSHRMAPK1LMNA
Acrylic Acid SCHEMBL31007025 0.77 PPM1B (0.39) ALDH1A1KMT2ATGM2CYP3A4
SCHEMBL6905371 0.76 ALOX15 (0.35) ALDH1A1TDP1ALOX15CYP3A4
SCHEMBL19605699 0.74 TDP1 (0.45) ALDH1A1TDP1TSHRMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593769-B1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO (JP) 1997-10-22 EP disclosed
US-5541258-A CROSSLINKED ACRYLATE COPOLYMER RUBBERS WITH CARBOXY GROUPS AND EPOXY GROUPS NIPPON ZEON CO., LTD. (JP) 1996-07-30 US disclosed
EP-0594854-B1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO (JP) 1996-05-29 EP disclosed
EP-0594854-A1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO., LTD. (JP) 1994-05-04 EP disclosed
EP-0593769-A1 THERMOPLASTIC ELASTOMER COMPOSITION NIPPON ZEON CO., LTD. (JP) 1994-04-27 EP disclosed