SCHEMBL9852499

SCHEMBL9852499

COC(=O)CCSc1scnc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
PTGS1 P23219 1/20 0.38
GSTP1 P09211 1/20 0.38
GSTM2 P28161 1/20 0.38
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
FFAR1 O14842 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9627261 0.86 KDM4E (0.43) KMT2AALDH1A1MEN1RAB9AKDM4E
SCHEMBL10685904 0.83 APEX1 (0.43) ALDH1A1KDM4EMAPK1HSD17B10TSHR
SCHEMBL10685641 0.83 PTGS1 (0.39) KMT2APTGS1GSTP1GSTM2CXCR1
SCHEMBL9748003 0.81 PTGS1 (0.36) KMT2APTGS1GSTP1GSTM2CXCR1
SCHEMBL9852546 0.78 PTGS1 (0.36) KMT2APTGS1GSTP1GSTM2CXCR1
SCHEMBL10692166 0.78 ALDH1A1 (0.44) CXCR1CXCR2ALDH1A1KDM4ETSHR
SCHEMBL9748006 0.77 KDM4E (0.42) ALDH1A1RAB9AKDM4EMAPK1HSD17B10
Hydrochloric Acid SCHEMBL16593684 0.75 KDM4E (0.41) ALDH1A1RAB9AKDM4EMAPK1HSD17B10
SCHEMBL10688854 0.74 HSD17B10 (0.43) KMT2AALDH1A1MEN1KDM4EFFAR1
SCHEMBL10688331 0.73 CYP1A2 (0.43) KMT2AALDH1A1KDM4EFFAR1HSD17B10

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-0409055-A1 Cephalosporin derivatives and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-23 EP disclosed
US-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed