SCHEMBL18769889

SCHEMBL18769889

Cc1ccc(CC(C)Nc2ccccc2C(C)O)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ ADRB2 P07550 6/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NR3C2 P08235 4/20 0.31
▸ NR3C1 P04150 3/20 0.31
▸ PGR P06401 3/20 0.31
▸ SLC16A3 O15427 1/20 0.31
▸ DAO P14920 1/20 0.31

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
SCHEMBL18792145 0.76 CYP1A2 (0.45) CYP1A2ADRB2L3MBTL1NR3C2NR3C1
SCHEMBL18792143 0.75 ADRB2 (0.39) CYP1A2ADRB2L3MBTL1NR3C2NR3C1
SCHEMBL18769849 0.73 ADRB2 (0.56) ADRB2
SCHEMBL7832116 0.70 CYP1A2 (0.54) CYP1A2DAO
SCHEMBL18769904 0.70 ADRB2 (0.48) ADRB2
SCHEMBL18769831 0.70 ADRB2 (0.58) ADRB2
SCHEMBL11780688 0.69 IDO1 (0.46) CYP1A2ADRB2L3MBTL1
SCHEMBL12061479 0.69 CYP1A2 (0.56) CYP1A2
SCHEMBL18769901 0.69 ADRB2 (0.50) CYP1A2ADRB2L3MBTL1
SCHEMBL18769851 0.68 SIGMAR1 (0.46) ADRB2

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
EP-3371181-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES Onco Therapies LLC (US) 2018-09-12 — — EP disclosed
WO-2017070052-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2017-04-27 — — WO disclosed
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