SCHEMBL8053368

SCHEMBL8053368

CC(CCNC(=O)c1ccccc1)CC(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.54
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MLYCD O95822 4/20 0.47
HPGD P15428 2/20 0.46
NAAA Q02083 1/20 0.46
KCNA5 P22460 1/20 0.45
ESRRG P62508 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL19303136 0.79 EPHX2 (0.63) EPHX2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10099587 0.79 EPHX2 (0.63) EPHX2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27467294 0.78 EPHX2 (0.61) EPHX2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL496789 0.77 SMN1; SMN2 (0.81) EPHX2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27389698 0.74 EPHX2 (0.65) EPHX2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27790062 0.74 EPHX2 (0.65) EPHX2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8851563 0.74 EPHX2 (0.65) EPHX2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30914520 0.74 EPHX2 (0.69) EPHX2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8056354 0.74 GAA (0.57) EPHX2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10722901 0.73 EPHX2 (0.73) EPHX2NPC1RAB9ASMN1; SMN2LMNA

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US-6130315-A SUBSTRATES IN WHICH THE SCISSILE AMIDE BOND HAS BEEN REPLACED BY AN ACTIVATED ELECTROPHILIC KETONE MOIETY; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE/ANTICARCINOGENIC/ANTIARTHRITIC AGENTS; TREATMENT OF AUTOIMMUNE DISEASES MERRELL PHARMACEUTICALS INC. (US) 2000-10-10 US disclosed
US-5849866-A Peptidase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1998-12-15 US disclosed
EP-0195212-B1 Novel peptidase inhibitors MERRELL DOW PHARMA (US) 1993-11-24 EP disclosed
EP-0195212-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1986-09-24 EP disclosed