SCHEMBL11601173

SCHEMBL11601173

CC(C)(C)NC(=O)[CH]CBr

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.33
HDAC2 Q92769 1/20 0.33
EPHX1 P07099 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HPGD P15428 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL5949982 0.78 EGFR (0.38) EGFRLMNAHDAC2EPHX1POLB
SCHEMBL22825579 0.77 EGFR (0.43) EGFRLMNAHDAC2EPHX1HPGD
SCHEMBL11600492 0.76 EGFR (0.37) EGFRLMNAHDAC2EPHX1POLB
SCHEMBL5208649 0.71 TSHR (0.36) EGFRHDAC2EPHX1POLBALDH1A1
SCHEMBL1700981 0.71 EGFR (0.54) EGFRLMNAEPHX1POLBMEN1
SCHEMBL2534565 0.71 EGFR (0.54) EGFRLMNAEPHX1POLBMEN1
SCHEMBL6139449 0.71
SCHEMBL8183701 0.69
SCHEMBL11601703 0.68 EGFR (0.38) EGFRLMNAHDAC2EPHX1POLB
SCHEMBL11602323 0.68 EGFR (0.42) EGFRLMNAEPHX1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4111933-A PROTECTION OF FUNCTIONAL GROUPS DURING REACTION AND THEIR SUBSEQUENT RESTORATION BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed