SCHEMBL8537744

SCHEMBL8537744

CC(=O)OCc1ncccc1C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
L3MBTL1 Q9Y468 6/20 0.40
CASP3 P42574 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.40
P2RX7 Q99572 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL9694340 0.89 KDM4E (0.49) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9694170 0.86 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRRAB9APOLB
SCHEMBL4982157 0.81 CHRM2 (0.61) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL31088058 0.81 ALDH1A1 (0.46) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4062858 0.81 ALDH1A1 (0.46) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL24107663 0.80 ALDH1A1 (0.44) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7256602 0.79 P2RX7 (0.43) ALDH1A1L3MBTL1TSHRMAPTP2RX7
SCHEMBL8534431 0.79 ALDH1A1 (0.57) ALDH1A1L3MBTL1TSHRMAPTP2RX7
SCHEMBL12204906 0.79 P2RX7 (0.43) ALDH1A1L3MBTL1TSHRMAPTP2RX7
SCHEMBL31277349 0.79 ALDH1A1 (0.57) ALDH1A1L3MBTL1TSHRMAPTP2RX7

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
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed