SCHEMBL10697161

SCHEMBL10697161

C=C(COCc1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.51
TSHR P16473 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
PARP10 Q53GL7 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SLC1A1 P43005 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL981848 0.85 GRM5 (0.54) GRM5TSHRNPC1RAB9AALDH1A1
SCHEMBL8859560 0.83 SMN1; SMN2 (0.47) TSHRNPC1RAB9APARP10ALDH1A1
Urea SCHEMBL28054623 0.82 TSHR (0.71) TSHRNPC1RAB9APARP10ALDH1A1
SCHEMBL203767 0.81 TSHR (0.56) GRM5TSHRNPC1RAB9APARP10
SCHEMBL24091707 0.79 GRM5 (0.49) GRM5TSHRNPC1RAB9AALDH1A1
SCHEMBL20326363 0.79 GRM5 (0.49) GRM5TSHRNPC1RAB9AALDH1A1
SCHEMBL7720076 0.79 TSHR (0.58) GRM5TSHRNPC1RAB9AALDH1A1
Carbamic Acid SCHEMBL119806 0.78 TSHR (0.71) TSHRNPC1RAB9APARP10ALDH1A1
SCHEMBL20314962 0.78 GRM5 (0.48) GRM5TSHRNPC1ALDH1A1SLC1A1
SCHEMBL27461846 0.77 TSHR (0.56) GRM5TSHRNPC1RAB9APARP10

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
JP-63221114-A None JP disclosed
CN-106832077-A A kind of ECTFE fluororesin with self-crosslinking structure and preparation method thereof 浙江省化工研究院有限公司 2017-06-13 CN disclosed
JP-S63221114-A PHOTOCURABLE RESIN COMPOSITION SOKEN KAGAKU KK 1988-09-14 JP disclosed