SCHEMBL7980376

SCHEMBL7980376

CC[CH]/C1=C/CCCCCC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.33
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 1/20 0.31
ALOX15 P16050 1/20 0.31
GSTP1 P09211 1/20 0.30
CTSK P43235 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
SCHEMBL177598 1.00 CXCR3 (0.33) CXCR3ALDH1A1RAB9AALOX15GSTP1
SCHEMBL68779 0.98
SCHEMBL7409277 0.91
SCHEMBL7991290 0.85 ALDH1A1 (0.32) CXCR3ALDH1A1RAB9A
SCHEMBL7992380 0.85 ALDH1A1 (0.32) CXCR3ALDH1A1RAB9A
SCHEMBL6589574 0.83
SCHEMBL4461735 0.83 ALDH1A1 (0.33) ALDH1A1RAB9A
SCHEMBL791251 0.79 PSMB5 (0.31) ALDH1A1RAB9A
SCHEMBL2687390 0.78 PIN1 (0.35)
SCHEMBL11700246 0.78 PIN1 (0.35)

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-6277790-B1 APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT BASF AKTIENGESELLSCHAFT (DE) 2001-08-21 US disclosed