SCHEMBL7994741

SCHEMBL7994741

[CH2]CCCCCCCCCC#CCCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.40
HMGCR P04035 3/20 0.40
RAB9A P51151 1/20 0.39
RECQL P46063 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 3/20 0.32
KCNH2 Q12809 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
SCHEMBL3858349 1.00 PTPN7 (0.40) PTPN7HMGCRRAB9ARECQLTDP1
SCHEMBL8668772 1.00 PTPN7 (0.40) PTPN7HMGCRRAB9ARECQLTDP1
SCHEMBL3861203 1.00 PTPN7 (0.40) PTPN7HMGCRRAB9ARECQLTDP1
SCHEMBL3858554 1.00 PTPN7 (0.40) PTPN7HMGCRRAB9ARECQLTDP1
SCHEMBL3206990 1.00 PTPN7 (0.40) PTPN7HMGCRRAB9ARECQLTDP1
SCHEMBL1116731 0.97 PTPN7 (0.37) PTPN7HMGCRRAB9ARECQLTDP1
SCHEMBL16416623 0.93 RECQL (0.46) PTPN7HMGCRRAB9ARECQLTDP1
SCHEMBL9681594 0.90 PTPN7 (0.50) PTPN7HMGCRRAB9ARECQLTDP1
SCHEMBL61256 0.90 PTPN7 (0.50) PTPN7HMGCRRAB9ARECQLTDP1
SCHEMBL8669383 0.90 PTPN7 (0.50) PTPN7HMGCRRAB9ARECQLTDP1

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
US-6284784-B1 2-HYDROXYMETHYL DERIVATIVES GEORGETOWN UNIVERSITY 2001-09-04 US disclosed
EP-1015427-A1 SUBSTITUTED 2-PYRROLIDINONE ACTIVATORS OF PKC GEORGETOWN UNIVERSITY (US) 2000-07-05 EP disclosed
US-5962504-A ACTIVATOR OF PROTEIN KINASE; ANTICANCER AGENT GEORGETOWN UNIVERSITY (US) 1999-10-05 US disclosed
WO-1999012901-A1 SUBSTITUTED 2-PYRROLIDINONE ACTIVATORS OF PKC GEORGETOWN UNIVERSITY (US) 1999-03-18 WO disclosed