SCHEMBL7994494

SCHEMBL7994494

C[CH]CC1=CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.42
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
PKM P14618 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EPHX1 P07099 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL7994890 1.00 CXCR3 (0.42) CXCR3ALDH1A1ALOX15SMN1; SMN2PKM
SCHEMBL21582128 0.98
SCHEMBL7994399 0.91
SCHEMBL27633323 0.83 CXCR3 (0.40) CXCR3ALDH1A1ALOX15SMN1; SMN2PKM
SCHEMBL11839111 0.83 CXCR3 (0.40) CXCR3ALDH1A1ALOX15SMN1; SMN2PKM
SCHEMBL11267036 0.81 ALDH1A1 (0.40) CXCR3ALDH1A1ALOX15SMN1; SMN2PKM
SCHEMBL7991231 0.79 CXCR3 (0.40) CXCR3ALDH1A1ALOX15SMN1; SMN2PKM
SCHEMBL8119420 0.79 SMN1; SMN2 (0.46) CXCR3ALDH1A1ALOX15SMN1; SMN2PKM
SCHEMBL8126669 0.79 CXCR3 (0.40) CXCR3ALDH1A1ALOX15SMN1; SMN2PKM
SCHEMBL7998167 0.79 CXCR3 (0.40) CXCR3ALDH1A1ALOX15SMN1; SMN2PKM

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