SCHEMBL7368844

SCHEMBL7368844

CC(C)CC(NCC1CCC(C(C)(C)C)CC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 3/20 0.40
PAX8 Q06710 1/20 0.39
LMNA P02545 1/20 0.38
LIPA P38571 1/20 0.38
MAPT P10636 1/20 0.36
CPB2 Q96IY4 1/20 0.36
SORT1 Q99523 2/20 0.36
GRN P28799 1/20 0.36
BCHE P06276 1/20 0.35
CPA1 P15085 1/20 0.35
FOLH1 Q04609 2/20 0.35
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7043148 0.81 BCHE (0.47) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL7368780 0.81 BCHE (0.47) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL7364310 0.78 ALDH1A1 (0.41) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL28461928 0.70 ALDH1A1 (0.46) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL28461929 0.70 ALDH1A1 (0.46) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL7369200 0.69 ALDH1A1 (0.45) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL65617 0.69 ALDH1A1 (0.52) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL5397395 0.69 KDM4E (0.44) MAPTCPB2SORT1GRNFOLH1
SCHEMBL21242136 0.69 CA2 (0.38) SORT1GRN
SCHEMBL65616 0.69 ALDH1A1 (0.52) KMT2AALDH1A1MEN1LMNAMAPT

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-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US claimed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO claimed
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed