SCHEMBL5719348

SCHEMBL5719348

C=C(C)Cc1ccccc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
IDO1 P14902 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
TTR P02766 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL8712496 0.86 LMNA (0.58) LMNASMN1; SMN2IDO1TAAR1TSHR
SCHEMBL9206248 0.86 CXCL8 (0.47) LMNASMN1; SMN2TSHRCYP1A2CYP3A4
SCHEMBL6618219 0.83 LMNA (0.59) LMNASMN1; SMN2IDO1TAAR1TSHR
SCHEMBL5787969 0.83 IDO1 (0.56) LMNASMN1; SMN2IDO1TAAR1CYP3A4
SCHEMBL12227221 0.82 L3MBTL1 (0.50) LMNASMN1; SMN2TSHRCYP1A2CYP3A4
SCHEMBL12227220 0.82 L3MBTL1 (0.49) LMNASMN1; SMN2TSHRCYP1A2CYP3A4
SCHEMBL7993174 0.81 L3MBTL1 (0.53) TSHRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6015464 0.80 MEN1 (0.40) TSHRCYP2D6MAPTMEN1KMT2A
SCHEMBL29737506 0.80 L3MBTL1 (0.64) LMNASMN1; SMN2IDO1TAAR1TSHR
SCHEMBL266821 0.80 L3MBTL1 (0.64) LMNASMN1; SMN2IDO1TAAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
EP-1539753-B1 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2009-09-09 EP disclosed
EP-1408986-A4 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2006-01-11 EP disclosed
EP-1408986-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2004-04-21 EP disclosed
WO-2002089738-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2002-11-14 WO disclosed