SCHEMBL7994426

SCHEMBL7994426

CCC(C)C1=CCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CXCR3 P49682 1/20 0.31
MEN1 O00255 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
SCHEMBL8125749 1.00 KMT2A (0.33) KMT2AKDM4ESMN1; SMN2CXCR3MEN1
SCHEMBL4744556 0.98 KMT2A (0.33) KMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL914584 0.91
SCHEMBL10338316 0.82 SMN1; SMN2 (0.33) SMN1; SMN2CXCR3
SCHEMBL20290520 0.82 TAAR1 (0.33) SMN1; SMN2CXCR3
SCHEMBL7994447 0.82 SMN1; SMN2 (0.30) SMN1; SMN2CXCR3
SCHEMBL10338313 0.82 SMN1; SMN2 (0.33) SMN1; SMN2CXCR3
SCHEMBL7994444 0.82 SMN1; SMN2 (0.30) SMN1; SMN2CXCR3
SCHEMBL5077494 0.79 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL466743 0.79 TAAR1 (0.34) SMN1; SMN2

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