SCHEMBL8088044

SCHEMBL8088044

Cc1oc2c(CCS(C)(=O)=O)cccc2c1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.35
STING1 Q86WV6 1/20 0.35
ALDH2 P05091 1/20 0.34
NQO2 P16083 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
PTGS2 P35354 1/20 0.31
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 0.31
MKNK1 Q9BUB5 1/20 0.31
IKBKB O14920 1/20 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
SCHEMBL8507409 0.81 MTNR1A (0.39) GLASTING1MTNR1AMTNR1B
SCHEMBL8081899 0.78 GLA (0.38) GLASTING1ALDH2KDM4EMCL1
SCHEMBL7824589 0.75 PDCD1 (0.43) GLASTING1ALDH2KDM4EKMT2A
SCHEMBL8038419 0.73 HTR1A (0.43) KDM4E
SCHEMBL14374837 0.72 ELANE (0.37) NQO2MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL8086156 0.72 HTR1A (0.42) KDM4E
SCHEMBL14347635 0.72 NQO2 (0.32) NQO2MTNR1AMTNR1B
SCHEMBL5609972 0.70 NQO2 (0.63) NQO2MTNR1A
SCHEMBL6590934 0.68 CYP3A4 (0.46) ALDH2KDM4EKMT2AMCL1
SCHEMBL15046889 0.67 MCL1 (0.56) ALDH2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6063810-A ENANTIOMORPHS SYNTHELABO (FR) 2000-05-16 US disclosed