SCHEMBL7009110

SCHEMBL7009110

c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(Cc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.51
PTGER3 P43115 4/20 0.51
PTGER1 P34995 3/20 0.51
PTGER2 P43116 3/20 0.51
DPP4 P27487 1/20 0.48
BCL2 P10415 1/20 0.44
BCL2L1 Q07817 1/20 0.44
FOLH1 Q04609 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
AGXT P21549 1/20 0.43
PTPN1 P18031 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HTR2A P28223 1/20 0.41
CALM1 P0DP23 1/20 0.41
TACR1 P25103 1/20 0.40

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
SCHEMBL340250 0.90 DPP4 (0.58) DPP4BCL2BCL2L1FOLH1PDCD1
SCHEMBL31070319 0.90 DPP4 (0.58) DPP4BCL2BCL2L1FOLH1PDCD1
Hydrogen Sulfide SCHEMBL27779487 0.88 DPP4 (0.56) DPP4BCL2BCL2L1FOLH1PDCD1
SCHEMBL29484236 0.86 DPP4 (0.54) DPP4FOLH1PDCD1CD274AGXT
SCHEMBL29484232 0.86 DPP4 (0.54) DPP4FOLH1PDCD1CD274AGXT
SCHEMBL27625646 0.82 CYP11B1 (0.46) BCL2BCL2L1AGXTPTPN1KMT2A
Bicarbonate SCHEMBL28055587 0.82 KMT2A (0.56) PTGER4PTGER3PTGER1PTGER2DPP4
SCHEMBL28825976 0.82 DPP4 (0.48) DPP4BCL2BCL2L1FOLH1PDCD1
Phenol SCHEMBL27575460 0.81 KEAP1 (0.50) DPP4BCL2BCL2L1FOLH1PDCD1
SCHEMBL31387875 0.79 DPP4 (0.65) PTGER4PTGER3PTGER1PTGER2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268215-A1 HEAT SENSITIVE RECORDING MATERIAL Ciba SC Holding AG (CH) 2003-01-02 EP claimed
WO-2001072527-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-10-04 WO claimed