SCHEMBL9033464

SCHEMBL9033464

CC(C)(C)[Si](C)(C)OCc1ccc(-c2ccsc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
CYP2A6 P11509 5/20 0.39
CYP2E1 P05181 2/20 0.38
CYP2B6 P20813 2/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRMT6 Q96LA8 1/20 0.34
LTA4H P09960 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL17410295 0.84 TAAR1 (0.38) L3MBTL1
SCHEMBL12783776 0.78 IDO1 (0.35)
SCHEMBL12002628 0.78 IDO1 (0.46) TDP1L3MBTL1
SCHEMBL5221804 0.78 IDO1 (0.35)
SCHEMBL7216290 0.76 WNT3A (0.36)
SCHEMBL18797907 0.75 IDO1 (0.31)
SCHEMBL20213761 0.74 BACE1 (0.32)
SCHEMBL3288567 0.73 CYP2A6 (0.32) CYP2A6
SCHEMBL906834 0.73 IDO1 (0.48)
SCHEMBL12855670 0.73 AGXT (0.52) CYP2A6

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
EP-0682654-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1996-01-17 EP disclosed
EP-0682654-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-11-22 EP disclosed
WO-1994018169-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-08-18 WO disclosed
US-5284841-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1994-02-08 US disclosed