SCHEMBL7980460

SCHEMBL7980460

CC[CH]CC1=CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
ALOX15 P16050 2/20 0.40
CXCR3 P49682 2/20 0.38
PKM P14618 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 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
SCHEMBL7991231 0.98 CXCR3 (0.40) ALDH1A1ALOX15CXCR3PKMTAAR1
SCHEMBL8126669 0.98 CXCR3 (0.40) ALDH1A1ALOX15CXCR3PKMTAAR1
SCHEMBL7998167 0.98 CXCR3 (0.40) ALDH1A1ALOX15CXCR3PKMTAAR1
SCHEMBL7994428 0.94
SCHEMBL60609 0.81 ALDH1A1 (0.36) ALDH1A1ALOX15CXCR3PKMTAAR1
SCHEMBL21582128 0.78
SCHEMBL9213484 0.78 ALDH1A1 (0.34) ALDH1A1ALOX15CXCR3PKMTAAR1
SCHEMBL7459528 0.78 ALDH1A1 (0.34) ALDH1A1ALOX15CXCR3PKMTAAR1
SCHEMBL7994494 0.77 CXCR3 (0.42) ALDH1A1ALOX15CXCR3PKMTAAR1
SCHEMBL7994890 0.77 CXCR3 (0.42) ALDH1A1ALOX15CXCR3PKMTAAR1

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 3 patents. 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
EP-1003741-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-31 EP disclosed
WO-1999007702-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1999-02-18 WO disclosed