SCHEMBL6156624

SCHEMBL6156624

CCN(O[Si](C)(C)C(C)(C)C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TAAR1 Q96RJ0 5/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL16098474 0.81 TSHR (0.39) TSHRALDH1A1GLAMAPTMEN1
SCHEMBL6156621 0.72 TSHR (0.33) TSHRALDH1A1GLAMAPTCRHBP
SCHEMBL8779708 0.70 KMT2A (0.39) TSHRALDH1A1GLAMAPTMEN1
SCHEMBL1257089 0.70 TSHR (0.43) TSHRALDH1A1GLAMAPTMEN1
SCHEMBL7892557 0.69
SCHEMBL9224354 0.69 ALDH1A1 (0.42) TSHRALDH1A1MEN1CYP3A4CYP2C19
SCHEMBL1258403 0.69 TSHR (0.42) TSHRALDH1A1GLAMAPTMEN1
SCHEMBL14058643 0.68 TSHR (0.38) TSHRALDH1A1GLAMEN1CYP3A4
SCHEMBL30549445 0.68 CA12 (0.36) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL1101358 0.67 L3MBTL1 (0.41) TSHRALDH1A1GLAMAPTCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed