SCHEMBL9821164

SCHEMBL9821164

OCCCNCCNCCNCCNCCNCCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 2/20 0.44
CA2 P00918 6/20 0.41
CA12 O43570 6/20 0.41
CA9 Q16790 6/20 0.41
CA5B Q9Y2D0 6/20 0.41
CA6 P23280 5/20 0.41
CA7 P43166 5/20 0.41
CA14 Q9ULX7 5/20 0.41
CA5A P35218 5/20 0.41
CA1 P00915 4/20 0.41
CA4 P22748 4/20 0.41
CA3 P07451 4/20 0.41
ALOX15 P16050 3/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37

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
SCHEMBL347724 1.00 CASP2 (0.44) CASP2CA2CA12CA9CA5B
SCHEMBL48646 0.96
SCHEMBL2785093 0.93 CA2 (0.40) CASP2CA2CA12CA9CA5B
SCHEMBL19853619 0.93 CASP2 (0.40) CASP2CA2CA12CA9CA5B
Hydrochloric Acid SCHEMBL8643543 0.92 UBE2N (0.42) CASP2CA2CA12CA9CA5B
SCHEMBL9693141 0.92 CA2 (0.44) CASP2CA2CA12CA9CA5B
SCHEMBL8463463 0.92 CA2 (0.47) CASP2CA2CA12CA9CA5B
SCHEMBL11146467 0.92 CA2 (0.39) CASP2CA2CA12CA9CA5B
SCHEMBL24110180 0.89 CYP2C19 (0.47) CASP2CA2CA12CA9CA5B
SCHEMBL4290748 0.89 CA2 (0.42) CASP2CA2CA12CA9CA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200273629-A1 LIGAND MODIFIED PEROVSKITE OPTOELECTRONIC DEVICES THE UNIVERSITY OF HONG KONG (CN) 2020-08-27 US claimed
EP-0208541-B1 LUBRICANT COMPOSITIONS NIPPON OIL CO. LTD. (JP) 1991-12-04 EP claimed
EP-0208541-A2 Lubricant compositions NIPPON OIL CO. LTD. (JP) 1987-01-14 EP claimed
US-20250104934-A1 LIGAND MODIFIED PEROVSKITE OPTOELECTRONIC DEVICES THE UNIVERSITY OF HONG KONG (CN) 2025-03-27 US disclosed
US-20200273629-A1 LIGAND MODIFIED PEROVSKITE OPTOELECTRONIC DEVICES THE UNIVERSITY OF HONG KONG (CN) 2020-08-27 US disclosed
EP-0208541-B1 LUBRICANT COMPOSITIONS NIPPON OIL CO. LTD. (JP) 1991-12-04 EP disclosed
EP-0208541-A2 Lubricant compositions NIPPON OIL CO. LTD. (JP) 1987-01-14 EP disclosed