SCHEMBL11076157

SCHEMBL11076157

COC(=O)C1CC1(C(=O)OC)c1cccc(OC)c1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.79
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL13647878 0.89 ADAM17 (0.70) ADAM17MEN1KMT2APOLBSMN1; SMN2
SCHEMBL13648507 0.89 ADAM17 (0.70) ADAM17MEN1KMT2APOLBSMN1; SMN2
SCHEMBL8357654 0.88 ADAM17 (1.00) ADAM17
SCHEMBL2823324 0.82 ATM (0.56) ADAM17
SCHEMBL13648312 0.80 ADAM17 (0.87) ADAM17
SCHEMBL11078556 0.79 ADAM17 (0.61) ADAM17MEN1KMT2APOLBSMN1; SMN2
SCHEMBL11078559 0.79 ADAM17 (0.61) ADAM17MEN1KMT2APOLBSMN1; SMN2
SCHEMBL13648636 0.79 ADAM17 (1.00) ADAM17
SCHEMBL13648231 0.79 ADAM17 (1.00) ADAM17
SCHEMBL11075435 0.77 ADAM17 (0.49) ADAM17

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-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4196120-A 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
US-4131611-A ANXIOLYTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1978-12-26 US disclosed