SCHEMBL8917913

SCHEMBL8917913

COC(=O)/C=C/C(CO[Si](C)(C)C(C)(C)C)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.40
BACE1 P56817 1/20 0.36
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
BTN3A1 O00481 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CTRB1 P17538 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOS3 P29474 1/20 0.34

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
SCHEMBL8917915 1.00 CTSL (0.40) CTSLBACE1ITGA4ITGB7BTN3A1
SCHEMBL7663381 0.79 TAAR1 (0.37) CTSLBACE1BTN3A1TAAR1ADRB2
SCHEMBL4698511 0.77 CYP1A2 (0.54)
SCHEMBL8710569 0.76 FOLH1 (0.43) ITGA4ITGB7ADRB2ADRB1ADRB3
SCHEMBL1877801 0.76 ALDH1A1 (0.33)
SCHEMBL8917811 0.74 BTN3A1 (0.31) BTN3A1MAPT
SCHEMBL8917803 0.74 BTN3A1 (0.31) BTN3A1MAPT
SCHEMBL4748246 0.74 HCAR2 (0.36) BACE1BTN3A1
SCHEMBL4748143 0.74 HCAR2 (0.36) BACE1BTN3A1
SCHEMBL21797574 0.73 CYP1A2 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686565-A ANTIINFLAMMATORY AGENTS SCIOS INC. (US) 1997-11-11 US disclosed
US-5552383-A ANALGESIC, ANTIINFLAMMATORY FOR WOUNDS SCIOS NOVA INC. (US) 1996-09-03 US disclosed