SCHEMBL17140376

SCHEMBL17140376

Cc1ccccc1C(C)(C)c1ccccc1[PH](=O)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL2154159 0.80 ALDH1A1 (0.39) GABRA1GABRB2
SCHEMBL2154468 0.78 TSHR (0.39)
SCHEMBL1945388 0.75 TSHR (0.50) CASRGABRA1GABRB2
SCHEMBL30466028 0.73 TRPA1 (0.35)
SCHEMBL22957190 0.71 SMN1; SMN2 (0.42)
SCHEMBL821937 0.71 ALDH1A1 (0.30)
SCHEMBL2155675 0.69 ALDH1A1 (0.33)
SCHEMBL9421204 0.68 ESR1 (0.46) GABRA1GABRB2
SCHEMBL2154942 0.68 ALDH1A1 (0.44) GABRA1GABRB2
SCHEMBL5046947 0.67 TSHR (0.45) CASRGABRA1GABRB2

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-3126415-A1 SILICONE ACRYLAMIDE COPOLYMER Johnson & Johnson Vision Care Inc. (US) 2017-02-08 EP disclosed
EP-3126416-A1 SILICONE ACRYLAMIDE COPOLYMER Johnson & Johnson Vision Care, Inc. (US) 2017-02-08 EP disclosed
WO-2015153403-A1 SILICONE ACRYLAMIDE COPOLYMER JOHNSON & JOHNSON VISION CARE, INC. (US) 2015-10-08 WO disclosed
WO-2015153404-A1 SILICONE ACRYLAMIDE COPOLYMER JOHNSON & JOHNSON VISION CARE, INC. (US) 2015-10-08 WO disclosed