SCHEMBL6554819

SCHEMBL6554819

CCC(O)C(=O)OC(=O)c1ccc(N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
CYP1A2 P05177 3/20 0.59
CYP3A4 P08684 3/20 0.59
MAOA P21397 2/20 0.59
TSHR P16473 3/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PDE4D Q08499 1/20 0.53
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
CYP2D6 P10635 2/20 0.49
HTR3A P46098 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
BLM P54132 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL62519 0.85 LMNA (0.51) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL10652239 0.83 LMNA (0.59) LMNACYP1A2CYP3A4MAOATSHR
Benzocaine SCHEMBL7263677 0.83 LMNA (0.69) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL20548908 0.80 LMNA (0.53) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL10880505 0.77 ADRB2 (0.68) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL5571825 0.76 LMNA (0.58) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL28216825 0.76 LMNA (0.44) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL28142615 0.76 LMNA (0.73) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL248077 0.75 LMNA (0.59) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL8442833 0.75 CYP3A4 (0.66) LMNACYP1A2CYP3A4MAOATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000950-B1 Novel indanylidene compounds HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
EP-0933376-B1 Silanyl-triazines as light screening compositions HOFFMANN LA ROCHE (CH) 2003-08-20 EP disclosed
US-6416746-B1 ULTRAVIOLET RAY AND LIGHT SCREENING MATERIAL GRAFTED TO SILANE, OLIGOSILOXANE, OR POLYSILOXANE WITH IMPROVED SOLUBILITY AND LITTLE PENETRATION; FOR USE IN COSMETICS ROCHE VITAMINS INC. 2002-07-09 US disclosed
EP-1000950-A2 Novel indanylidene compounds F. HOFFMANN-LA ROCHE AG (CH) 2000-05-17 EP disclosed
US-6018044-A TRIS((ALKYL, SILANE, OLIGOSILOXANE OR POLYSILOXANE)(OXY OR AMINO)CARBONYL-(1,4-PHENYLENE)-AMINO)-S-TRIAZINES HAVING AT LEAST ONE SILICON CONTAINING MOIETY OF GIVEN FORMULA; USE AS UV-B FILTERS IN LIGHT SCREENING COMPOSITIONS ROCHE VITAMINS INC. (US) 2000-01-25 US disclosed
EP-0933376-A2 Silanyl-triazines as light screening compositions F. HOFFMANN-LA ROCHE AG (CH) 1999-08-04 EP disclosed