SCHEMBL21979730

SCHEMBL21979730

CC(=Cc1ccccc1)C[SiH]1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.34
AKR1C3 P42330 1/20 0.34
KDM1A O60341 2/20 0.34
KDM4E B2RXH2 2/20 0.33
RECQL P46063 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
NR1I2 O75469 1/20 0.32
FBP1 P09467 1/20 0.32

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
SCHEMBL21638685 0.83 KDM1A (0.33) KDM1AMEN1KMT2ANR1I2FBP1
SCHEMBL27864330 0.81 MTNR1A (0.38) SMN1; SMN2ALDH1A1KDM1AHPGDMEN1
SCHEMBL27461385 0.76
SCHEMBL5604505 0.74 TSHR (0.37) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL4454470 0.72 KDM1A (0.34) KDM1A
SCHEMBL3053486 0.71 MAOA (0.36)
SCHEMBL21638684 0.70 KDM1A (0.33) TSHRALDH1A1AKR1C3KDM1AFBP1
SCHEMBL28230174 0.70
SCHEMBL27896622 0.67 GRIK1 (0.31) GRIK1
SCHEMBL11205862 0.67 AKR1C1 (0.35) SMN1; SMN2ALDH1A1KDM4EHPGDMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870732-B2 Defoamer compositions for detergents WACKER CHEMIE AG (DE) 2020-12-22 US disclosed
US-20200165393-A1 DEFOAMER COMPOSITIONS FOR DETERGENTS WACKER CHEMIE AG (DE) 2020-05-28 US disclosed