SCHEMBL7991295

SCHEMBL7991295

CCCCC1=CCCCCCC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 1/20 0.42
CXCR3 P49682 2/20 0.41
RAB9A P51151 2/20 0.41
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
EPHX1 P07099 1/20 0.40
KMT2A Q03164 1/20 0.38

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
SCHEMBL7991234 1.00 ALDH1A1 (0.47) ALDH1A1ALOX15SMN1; SMN2PKMCXCR3
SCHEMBL11241473 1.00 ALDH1A1 (0.47) ALDH1A1ALOX15SMN1; SMN2PKMCXCR3
SCHEMBL196177 0.98 ALDH1A1 (0.49) ALDH1A1ALOX15SMN1; SMN2PKMRAB9A
SCHEMBL11236829 0.94 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2PKMCXCR3
SCHEMBL11236830 0.94 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2PKMCXCR3
SCHEMBL11236833 0.94 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2PKMCXCR3
SCHEMBL25337874 0.92 ALDH1A1 (0.45) ALDH1A1ALOX15SMN1; SMN2PKMCXCR3
SCHEMBL29212867 0.92 ALDH1A1 (0.45) ALDH1A1ALOX15SMN1; SMN2PKMCXCR3
SCHEMBL11069331 0.92 ALDH1A1 (0.45) ALDH1A1ALOX15SMN1; SMN2PKMCXCR3
SCHEMBL17768658 0.92 ALDH1A1 (0.45) ALDH1A1ALOX15SMN1; SMN2PKMCXCR3

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